Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid | John W. Newman, USDA ARS Western Human Nutrition Research Center, Davis CA (personal communication - March 2, 2009) | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota |
PMID[24760997] |
|||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[18953024] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[22308371] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[25518943] |
|||
NPO26009 | Valeriana fauriei | Species | Caprifoliaceae | Eukaryota |
PMID[22790953] |
|||
NPO30718 | Carthamus oxyacantha | Species | Asteraceae | Eukaryota | Aerial parts |
PMID[22060189] |
||
NPO26009 | Valeriana fauriei | Species | Caprifoliaceae | Eukaryota | TM-MC* |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC255863 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
1.0 | High Similarity | NPC245947 |
1.0 | High Similarity | NPC136164 |
0.9355 | High Similarity | NPC326268 |
0.9355 | High Similarity | NPC318420 |
0.9333 | High Similarity | NPC327112 |
0.9194 | High Similarity | NPC470320 |
0.9077 | High Similarity | NPC143396 |
0.9062 | High Similarity | NPC99619 |
0.9062 | High Similarity | NPC26500 |
0.9016 | High Similarity | NPC243532 |
0.8889 | High Similarity | NPC226592 |
0.8871 | High Similarity | NPC201939 |
0.8824 | High Similarity | NPC227396 |
0.875 | High Similarity | NPC317881 |
0.875 | High Similarity | NPC323045 |
0.871 | High Similarity | NPC328311 |
0.8676 | High Similarity | NPC325627 |
0.8667 | High Similarity | NPC18951 |
0.8571 | High Similarity | NPC477829 |
0.8548 | High Similarity | NPC322002 |
0.8485 | Intermediate Similarity | NPC49863 |
0.8382 | Intermediate Similarity | NPC476660 |
0.8361 | Intermediate Similarity | NPC477201 |
0.8333 | Intermediate Similarity | NPC424 |
0.8333 | Intermediate Similarity | NPC261831 |
0.8333 | Intermediate Similarity | NPC25417 |
0.8333 | Intermediate Similarity | NPC6095 |
0.8333 | Intermediate Similarity | NPC88966 |
0.8333 | Intermediate Similarity | NPC290563 |
0.8333 | Intermediate Similarity | NPC87564 |
0.8333 | Intermediate Similarity | NPC32467 |
0.8333 | Intermediate Similarity | NPC328653 |
0.8333 | Intermediate Similarity | NPC154245 |
0.8333 | Intermediate Similarity | NPC281972 |
0.8333 | Intermediate Similarity | NPC85813 |
0.8308 | Intermediate Similarity | NPC328089 |
0.8308 | Intermediate Similarity | NPC68343 |
0.8281 | Intermediate Similarity | NPC321838 |
0.8254 | Intermediate Similarity | NPC329249 |
0.8235 | Intermediate Similarity | NPC236208 |
0.8235 | Intermediate Similarity | NPC473772 |
0.8226 | Intermediate Similarity | NPC225929 |
0.8209 | Intermediate Similarity | NPC271921 |
0.8209 | Intermediate Similarity | NPC127091 |
0.8209 | Intermediate Similarity | NPC22101 |
0.8209 | Intermediate Similarity | NPC104537 |
0.8209 | Intermediate Similarity | NPC148192 |
0.8209 | Intermediate Similarity | NPC330426 |
0.8197 | Intermediate Similarity | NPC228473 |
0.8182 | Intermediate Similarity | NPC320642 |
0.8182 | Intermediate Similarity | NPC323477 |
0.8167 | Intermediate Similarity | NPC321062 |
0.8167 | Intermediate Similarity | NPC70387 |
0.8167 | Intermediate Similarity | NPC36061 |
0.8167 | Intermediate Similarity | NPC139029 |
0.8167 | Intermediate Similarity | NPC1813 |
0.8167 | Intermediate Similarity | NPC294548 |
0.8125 | Intermediate Similarity | NPC122521 |
0.8125 | Intermediate Similarity | NPC174447 |
0.8125 | Intermediate Similarity | NPC251042 |
0.8088 | Intermediate Similarity | NPC473559 |
0.8088 | Intermediate Similarity | NPC324981 |
0.8088 | Intermediate Similarity | NPC141481 |
0.8088 | Intermediate Similarity | NPC48218 |
0.8056 | Intermediate Similarity | NPC279537 |
0.8028 | Intermediate Similarity | NPC474321 |
0.8 | Intermediate Similarity | NPC40082 |
0.8 | Intermediate Similarity | NPC320305 |
0.8 | Intermediate Similarity | NPC281245 |
0.8 | Intermediate Similarity | NPC328776 |
0.8 | Intermediate Similarity | NPC475984 |
0.8 | Intermediate Similarity | NPC113293 |
0.8 | Intermediate Similarity | NPC92114 |
0.7971 | Intermediate Similarity | NPC470436 |
0.7969 | Intermediate Similarity | NPC322186 |
0.7969 | Intermediate Similarity | NPC318306 |
0.7969 | Intermediate Similarity | NPC274927 |
0.7969 | Intermediate Similarity | NPC106851 |
0.7941 | Intermediate Similarity | NPC473829 |
0.7941 | Intermediate Similarity | NPC475443 |
0.7917 | Intermediate Similarity | NPC260396 |
0.791 | Intermediate Similarity | NPC476655 |
0.791 | Intermediate Similarity | NPC476654 |
0.791 | Intermediate Similarity | NPC476657 |
0.7903 | Intermediate Similarity | NPC52264 |
0.7903 | Intermediate Similarity | NPC28779 |
0.7903 | Intermediate Similarity | NPC200845 |
0.7903 | Intermediate Similarity | NPC128061 |
0.7903 | Intermediate Similarity | NPC223677 |
0.7903 | Intermediate Similarity | NPC10316 |
0.7879 | Intermediate Similarity | NPC29697 |
0.7879 | Intermediate Similarity | NPC470965 |
0.7869 | Intermediate Similarity | NPC39633 |
0.7869 | Intermediate Similarity | NPC309606 |
0.7869 | Intermediate Similarity | NPC139545 |
0.7857 | Intermediate Similarity | NPC42526 |
0.7838 | Intermediate Similarity | NPC192006 |
0.7833 | Intermediate Similarity | NPC262968 |
0.7812 | Intermediate Similarity | NPC34416 |
0.7794 | Intermediate Similarity | NPC476656 |
0.7794 | Intermediate Similarity | NPC476659 |
0.7778 | Intermediate Similarity | NPC92558 |
0.7778 | Intermediate Similarity | NPC187777 |
0.7778 | Intermediate Similarity | NPC324224 |
0.7778 | Intermediate Similarity | NPC472808 |
0.7778 | Intermediate Similarity | NPC179764 |
0.7746 | Intermediate Similarity | NPC320119 |
0.7742 | Intermediate Similarity | NPC137538 |
0.7727 | Intermediate Similarity | NPC66460 |
0.7727 | Intermediate Similarity | NPC325929 |
0.7727 | Intermediate Similarity | NPC271282 |
0.7714 | Intermediate Similarity | NPC317583 |
0.7667 | Intermediate Similarity | NPC224227 |
0.7667 | Intermediate Similarity | NPC59051 |
0.7656 | Intermediate Similarity | NPC44542 |
0.7656 | Intermediate Similarity | NPC323436 |
0.7639 | Intermediate Similarity | NPC470435 |
0.7639 | Intermediate Similarity | NPC329890 |
0.7639 | Intermediate Similarity | NPC326024 |
0.7619 | Intermediate Similarity | NPC274290 |
0.7619 | Intermediate Similarity | NPC54766 |
0.7619 | Intermediate Similarity | NPC473863 |
0.7612 | Intermediate Similarity | NPC54925 |
0.7581 | Intermediate Similarity | NPC71761 |
0.7576 | Intermediate Similarity | NPC229252 |
0.7576 | Intermediate Similarity | NPC143857 |
0.7576 | Intermediate Similarity | NPC235242 |
0.7536 | Intermediate Similarity | NPC308294 |
0.7536 | Intermediate Similarity | NPC142423 |
0.7532 | Intermediate Similarity | NPC47031 |
0.7532 | Intermediate Similarity | NPC88735 |
0.75 | Intermediate Similarity | NPC5413 |
0.75 | Intermediate Similarity | NPC201225 |
0.75 | Intermediate Similarity | NPC325977 |
0.75 | Intermediate Similarity | NPC149821 |
0.75 | Intermediate Similarity | NPC476658 |
0.7467 | Intermediate Similarity | NPC281296 |
0.7465 | Intermediate Similarity | NPC475004 |
0.746 | Intermediate Similarity | NPC49059 |
0.746 | Intermediate Similarity | NPC110732 |
0.746 | Intermediate Similarity | NPC256209 |
0.7436 | Intermediate Similarity | NPC7414 |
0.7429 | Intermediate Similarity | NPC278895 |
0.7429 | Intermediate Similarity | NPC478097 |
0.7429 | Intermediate Similarity | NPC25298 |
0.7424 | Intermediate Similarity | NPC473652 |
0.7424 | Intermediate Similarity | NPC222852 |
0.7407 | Intermediate Similarity | NPC86005 |
0.7407 | Intermediate Similarity | NPC477959 |
0.7403 | Intermediate Similarity | NPC115418 |
0.7397 | Intermediate Similarity | NPC329914 |
0.7385 | Intermediate Similarity | NPC211752 |
0.7385 | Intermediate Similarity | NPC323498 |
0.7385 | Intermediate Similarity | NPC472445 |
0.7385 | Intermediate Similarity | NPC323597 |
0.7368 | Intermediate Similarity | NPC182292 |
0.7368 | Intermediate Similarity | NPC260814 |
0.7368 | Intermediate Similarity | NPC39547 |
0.7368 | Intermediate Similarity | NPC121200 |
0.7368 | Intermediate Similarity | NPC323249 |
0.7368 | Intermediate Similarity | NPC27949 |
0.7361 | Intermediate Similarity | NPC476037 |
0.7344 | Intermediate Similarity | NPC474513 |
0.7344 | Intermediate Similarity | NPC477726 |
0.7344 | Intermediate Similarity | NPC470963 |
0.7344 | Intermediate Similarity | NPC146551 |
0.7344 | Intermediate Similarity | NPC477725 |
0.7333 | Intermediate Similarity | NPC49392 |
0.7333 | Intermediate Similarity | NPC188860 |
0.7333 | Intermediate Similarity | NPC180534 |
0.7333 | Intermediate Similarity | NPC207292 |
0.7333 | Intermediate Similarity | NPC91495 |
0.7333 | Intermediate Similarity | NPC190400 |
0.7324 | Intermediate Similarity | NPC474823 |
0.7324 | Intermediate Similarity | NPC218477 |
0.7313 | Intermediate Similarity | NPC81896 |
0.7313 | Intermediate Similarity | NPC321919 |
0.7302 | Intermediate Similarity | NPC217188 |
0.7302 | Intermediate Similarity | NPC474496 |
0.7302 | Intermediate Similarity | NPC34577 |
0.7302 | Intermediate Similarity | NPC61177 |
0.7286 | Intermediate Similarity | NPC146811 |
0.7284 | Intermediate Similarity | NPC116575 |
0.7273 | Intermediate Similarity | NPC469373 |
0.7273 | Intermediate Similarity | NPC469747 |
0.7273 | Intermediate Similarity | NPC263574 |
0.726 | Intermediate Similarity | NPC288667 |
0.726 | Intermediate Similarity | NPC319163 |
0.726 | Intermediate Similarity | NPC67076 |
0.7258 | Intermediate Similarity | NPC59408 |
0.7258 | Intermediate Similarity | NPC473672 |
0.7258 | Intermediate Similarity | NPC71053 |
0.7258 | Intermediate Similarity | NPC474495 |
0.7237 | Intermediate Similarity | NPC233071 |
0.7237 | Intermediate Similarity | NPC320630 |
0.7237 | Intermediate Similarity | NPC116177 |
0.7237 | Intermediate Similarity | NPC7563 |
0.7231 | Intermediate Similarity | NPC470964 |
0.7231 | Intermediate Similarity | NPC470969 |
0.7231 | Intermediate Similarity | NPC327388 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC255863 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.9333 | High Similarity | NPD4246 | Clinical (unspecified phase) |
0.8594 | High Similarity | NPD3197 | Phase 1 |
0.8485 | Intermediate Similarity | NPD4247 | Clinical (unspecified phase) |
0.8333 | Intermediate Similarity | NPD3194 | Approved |
0.8333 | Intermediate Similarity | NPD3196 | Approved |
0.8333 | Intermediate Similarity | NPD3195 | Phase 2 |
0.8333 | Intermediate Similarity | NPD4266 | Approved |
0.8167 | Intermediate Similarity | NPD3172 | Approved |
0.7833 | Intermediate Similarity | NPD29 | Approved |
0.7833 | Intermediate Similarity | NPD28 | Approved |
0.76 | Intermediate Similarity | NPD5784 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD3173 | Approved |
0.7436 | Intermediate Similarity | NPD4269 | Approved |
0.7436 | Intermediate Similarity | NPD4270 | Approved |
0.7403 | Intermediate Similarity | NPD4252 | Approved |
0.7368 | Intermediate Similarity | NPD4271 | Approved |
0.7368 | Intermediate Similarity | NPD4268 | Approved |
0.7342 | Intermediate Similarity | NPD5362 | Discontinued |
0.7342 | Intermediate Similarity | NPD7154 | Phase 3 |
0.7333 | Intermediate Similarity | NPD622 | Approved |
0.7237 | Intermediate Similarity | NPD4756 | Discovery |
0.7179 | Intermediate Similarity | NPD5790 | Clinical (unspecified phase) |
0.7179 | Intermediate Similarity | NPD4822 | Approved |
0.7179 | Intermediate Similarity | NPD4821 | Approved |
0.7179 | Intermediate Similarity | NPD4820 | Approved |
0.7179 | Intermediate Similarity | NPD4819 | Approved |
0.716 | Intermediate Similarity | NPD5363 | Approved |
0.7073 | Intermediate Similarity | NPD5786 | Approved |
0.7059 | Intermediate Similarity | NPD7983 | Approved |
0.7 | Intermediate Similarity | NPD4222 | Approved |
0.7 | Intermediate Similarity | NPD3174 | Discontinued |
0.7 | Intermediate Similarity | NPD39 | Approved |
0.6977 | Remote Similarity | NPD5778 | Approved |
0.6977 | Remote Similarity | NPD5779 | Approved |
0.6974 | Remote Similarity | NPD8039 | Approved |
0.6962 | Remote Similarity | NPD5368 | Approved |
0.6914 | Remote Similarity | NPD5332 | Approved |
0.6914 | Remote Similarity | NPD5331 | Approved |
0.6875 | Remote Similarity | NPD4790 | Discontinued |
0.6875 | Remote Similarity | NPD5369 | Approved |
0.679 | Remote Similarity | NPD6435 | Approved |
0.6774 | Remote Similarity | NPD5343 | Approved |
0.6765 | Remote Similarity | NPD6109 | Phase 1 |
0.6744 | Remote Similarity | NPD5785 | Approved |
0.6742 | Remote Similarity | NPD7839 | Suspended |
0.6709 | Remote Similarity | NPD3732 | Approved |
0.6667 | Remote Similarity | NPD5326 | Phase 3 |
0.6628 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6628 | Remote Similarity | NPD5370 | Suspended |
0.6628 | Remote Similarity | NPD6101 | Approved |
0.6588 | Remote Similarity | NPD4250 | Approved |
0.6588 | Remote Similarity | NPD4251 | Approved |
0.6477 | Remote Similarity | NPD6411 | Approved |
0.6477 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD4249 | Approved |
0.6452 | Remote Similarity | NPD4265 | Approved |
0.6418 | Remote Similarity | NPD3728 | Approved |
0.6418 | Remote Similarity | NPD3730 | Approved |
0.6418 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6406 | Remote Similarity | NPD4220 | Pre-registration |
0.6364 | Remote Similarity | NPD46 | Approved |
0.6364 | Remote Similarity | NPD6698 | Approved |
0.6351 | Remote Similarity | NPD7331 | Phase 2 |
0.6333 | Remote Similarity | NPD2270 | Approved |
0.6292 | Remote Similarity | NPD7637 | Suspended |
0.629 | Remote Similarity | NPD6096 | Approved |
0.629 | Remote Similarity | NPD2699 | Approved |
0.629 | Remote Similarity | NPD6097 | Approved |
0.6212 | Remote Similarity | NPD6927 | Phase 3 |
0.618 | Remote Similarity | NPD7838 | Discovery |
0.6164 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.6164 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6163 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6145 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.6133 | Remote Similarity | NPD3704 | Approved |
0.6133 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.6125 | Remote Similarity | NPD8264 | Approved |
0.6064 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6032 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.6027 | Remote Similarity | NPD4191 | Approved |
0.6027 | Remote Similarity | NPD4192 | Approved |
0.6027 | Remote Similarity | NPD4194 | Approved |
0.6027 | Remote Similarity | NPD4193 | Approved |
0.6 | Remote Similarity | NPD9448 | Phase 2 |
0.6 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5209 | Approved |
0.6 | Remote Similarity | NPD633 | Phase 3 |
0.5979 | Remote Similarity | NPD6647 | Phase 2 |
0.5972 | Remote Similarity | NPD3198 | Approved |
0.5934 | Remote Similarity | NPD7515 | Phase 2 |
0.5909 | Remote Similarity | NPD5279 | Phase 3 |
0.5909 | Remote Similarity | NPD6422 | Discontinued |
0.5904 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.5895 | Remote Similarity | NPD9495 | Approved |
0.5875 | Remote Similarity | NPD4732 | Discontinued |
0.5867 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD4786 | Approved |
0.5862 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.5857 | Remote Similarity | NPD342 | Phase 1 |
0.5857 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD3206 | Approved |
0.5816 | Remote Similarity | NPD5738 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD3667 | Approved |
0.5811 | Remote Similarity | NPD368 | Approved |
0.5789 | Remote Similarity | NPD7341 | Phase 2 |
0.5775 | Remote Similarity | NPD4219 | Approved |
0.5765 | Remote Similarity | NPD7514 | Phase 3 |
0.5765 | Remote Similarity | NPD7332 | Phase 2 |
0.5758 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5738 | Remote Similarity | NPD9655 | Approved |
0.5714 | Remote Similarity | NPD5347 | Phase 2 |
0.5714 | Remote Similarity | NPD5346 | Phase 2 |
0.5714 | Remote Similarity | NPD7145 | Approved |
0.57 | Remote Similarity | NPD5048 | Discontinued |
0.5699 | Remote Similarity | NPD6399 | Phase 3 |
0.5698 | Remote Similarity | NPD6902 | Approved |
0.5682 | Remote Similarity | NPD3666 | Approved |
0.5682 | Remote Similarity | NPD3133 | Approved |
0.5682 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5682 | Remote Similarity | NPD3665 | Phase 1 |
0.567 | Remote Similarity | NPD7639 | Approved |
0.567 | Remote Similarity | NPD7640 | Approved |
0.5667 | Remote Similarity | NPD4793 | Discontinued |
0.5658 | Remote Similarity | NPD7909 | Approved |
0.5647 | Remote Similarity | NPD6929 | Approved |
0.5638 | Remote Similarity | NPD7748 | Approved |
0.5632 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5631 | Remote Similarity | NPD6420 | Discontinued |
0.5625 | Remote Similarity | NPD3212 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD7144 | Approved |
0.5625 | Remote Similarity | NPD7143 | Approved |
0.5618 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.5618 | Remote Similarity | NPD1696 | Phase 3 |
0.5618 | Remote Similarity | NPD1694 | Approved |
0.561 | Remote Similarity | NPD6924 | Approved |
0.561 | Remote Similarity | NPD6926 | Approved |
PubChem CID   | 5282944 |
ChEMBL   | CHEMBL1077284 |
ZINC   |
Molecular Weight:   | 296.24 |
ALogP:   | -2.0652 |
MLogP:   | 3.11 |
XLogP:   | 5.929 |
# Rotatable Bonds:   | 17 |
Polar Surface Area:   | 57.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 21 |