Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO23323 | Dianthus superbus | Species | Caryophyllaceae | Eukaryota | TCM_Taiwan* |
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 NPC94881 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 | NPC48886 |
1.0 | High Similarity | NPC265275 |
0.873 | High Similarity | NPC122819 |
0.8661 | High Similarity | NPC150057 |
0.8661 | High Similarity | NPC147753 |
0.8651 | High Similarity | NPC15249 |
0.8651 | High Similarity | NPC25455 |
0.8618 | High Similarity | NPC296686 |
0.8397 | Intermediate Similarity | NPC287885 |
0.822 | Intermediate Similarity | NPC232054 |
0.822 | Intermediate Similarity | NPC46190 |
0.822 | Intermediate Similarity | NPC171073 |
0.822 | Intermediate Similarity | NPC244086 |
0.822 | Intermediate Similarity | NPC224098 |
0.822 | Intermediate Similarity | NPC22779 |
0.822 | Intermediate Similarity | NPC6806 |
0.822 | Intermediate Similarity | NPC477809 |
0.822 | Intermediate Similarity | NPC475333 |
0.822 | Intermediate Similarity | NPC73243 |
0.822 | Intermediate Similarity | NPC150372 |
0.822 | Intermediate Similarity | NPC194207 |
0.822 | Intermediate Similarity | NPC102016 |
0.822 | Intermediate Similarity | NPC208383 |
0.822 | Intermediate Similarity | NPC470433 |
0.822 | Intermediate Similarity | NPC309278 |
0.822 | Intermediate Similarity | NPC300557 |
0.822 | Intermediate Similarity | NPC218571 |
0.822 | Intermediate Similarity | NPC475550 |
0.822 | Intermediate Similarity | NPC95051 |
0.822 | Intermediate Similarity | NPC248746 |
0.822 | Intermediate Similarity | NPC84956 |
0.822 | Intermediate Similarity | NPC249265 |
0.8205 | Intermediate Similarity | NPC470432 |
0.8205 | Intermediate Similarity | NPC161676 |
0.8205 | Intermediate Similarity | NPC14704 |
0.8205 | Intermediate Similarity | NPC283829 |
0.8205 | Intermediate Similarity | NPC230507 |
0.8205 | Intermediate Similarity | NPC305423 |
0.8205 | Intermediate Similarity | NPC113044 |
0.8151 | Intermediate Similarity | NPC224314 |
0.8151 | Intermediate Similarity | NPC23808 |
0.8151 | Intermediate Similarity | NPC222202 |
0.8151 | Intermediate Similarity | NPC87998 |
0.8151 | Intermediate Similarity | NPC477811 |
0.8151 | Intermediate Similarity | NPC269297 |
0.8136 | Intermediate Similarity | NPC98696 |
0.812 | Intermediate Similarity | NPC181845 |
0.8106 | Intermediate Similarity | NPC297058 |
0.8083 | Intermediate Similarity | NPC475247 |
0.8083 | Intermediate Similarity | NPC477028 |
0.8083 | Intermediate Similarity | NPC124677 |
0.8083 | Intermediate Similarity | NPC13193 |
0.8083 | Intermediate Similarity | NPC476547 |
0.8083 | Intermediate Similarity | NPC294129 |
0.8083 | Intermediate Similarity | NPC477032 |
0.8067 | Intermediate Similarity | NPC40440 |
0.8067 | Intermediate Similarity | NPC477027 |
0.8067 | Intermediate Similarity | NPC70204 |
0.8067 | Intermediate Similarity | NPC306131 |
0.8067 | Intermediate Similarity | NPC42482 |
0.8067 | Intermediate Similarity | NPC475670 |
0.8067 | Intermediate Similarity | NPC477026 |
0.8051 | Intermediate Similarity | NPC94272 |
0.8017 | Intermediate Similarity | NPC31896 |
0.8017 | Intermediate Similarity | NPC32361 |
0.8017 | Intermediate Similarity | NPC272015 |
0.8017 | Intermediate Similarity | NPC210569 |
0.8017 | Intermediate Similarity | NPC244431 |
0.8017 | Intermediate Similarity | NPC263359 |
0.8017 | Intermediate Similarity | NPC42171 |
0.8 | Intermediate Similarity | NPC247037 |
0.8 | Intermediate Similarity | NPC141433 |
0.7983 | Intermediate Similarity | NPC476541 |
0.7983 | Intermediate Similarity | NPC476540 |
0.7983 | Intermediate Similarity | NPC476539 |
0.7983 | Intermediate Similarity | NPC476538 |
0.7966 | Intermediate Similarity | NPC309448 |
0.7951 | Intermediate Similarity | NPC79900 |
0.7934 | Intermediate Similarity | NPC197231 |
0.7917 | Intermediate Similarity | NPC302057 |
0.7913 | Intermediate Similarity | NPC91604 |
0.7899 | Intermediate Similarity | NPC190395 |
0.7886 | Intermediate Similarity | NPC11548 |
0.7886 | Intermediate Similarity | NPC477810 |
0.7886 | Intermediate Similarity | NPC477808 |
0.7886 | Intermediate Similarity | NPC32707 |
0.7886 | Intermediate Similarity | NPC167183 |
0.7881 | Intermediate Similarity | NPC187400 |
0.7881 | Intermediate Similarity | NPC470885 |
0.7881 | Intermediate Similarity | NPC221562 |
0.7869 | Intermediate Similarity | NPC112274 |
0.7869 | Intermediate Similarity | NPC254255 |
0.7869 | Intermediate Similarity | NPC19888 |
0.7869 | Intermediate Similarity | NPC308140 |
0.7845 | Intermediate Similarity | NPC282669 |
0.7833 | Intermediate Similarity | NPC220427 |
0.7826 | Intermediate Similarity | NPC243728 |
0.7826 | Intermediate Similarity | NPC473890 |
0.7823 | Intermediate Similarity | NPC477029 |
0.7823 | Intermediate Similarity | NPC63609 |
0.7823 | Intermediate Similarity | NPC477031 |
0.7823 | Intermediate Similarity | NPC477030 |
0.7815 | Intermediate Similarity | NPC242748 |
0.7815 | Intermediate Similarity | NPC473476 |
0.7815 | Intermediate Similarity | NPC474569 |
0.7815 | Intermediate Similarity | NPC473923 |
0.7805 | Intermediate Similarity | NPC476671 |
0.7805 | Intermediate Similarity | NPC476546 |
0.7805 | Intermediate Similarity | NPC51154 |
0.7787 | Intermediate Similarity | NPC13190 |
0.7769 | Intermediate Similarity | NPC157530 |
0.7769 | Intermediate Similarity | NPC14630 |
0.7769 | Intermediate Similarity | NPC250089 |
0.776 | Intermediate Similarity | NPC477807 |
0.7759 | Intermediate Similarity | NPC158088 |
0.775 | Intermediate Similarity | NPC14946 |
0.775 | Intermediate Similarity | NPC208650 |
0.775 | Intermediate Similarity | NPC226642 |
0.775 | Intermediate Similarity | NPC63368 |
0.7742 | Intermediate Similarity | NPC208832 |
0.7734 | Intermediate Similarity | NPC469943 |
0.7712 | Intermediate Similarity | NPC159036 |
0.7712 | Intermediate Similarity | NPC312553 |
0.7712 | Intermediate Similarity | NPC288694 |
0.7686 | Intermediate Similarity | NPC6931 |
0.7686 | Intermediate Similarity | NPC159005 |
0.7686 | Intermediate Similarity | NPC180183 |
0.7686 | Intermediate Similarity | NPC246124 |
0.7686 | Intermediate Similarity | NPC295980 |
0.7667 | Intermediate Similarity | NPC269627 |
0.7667 | Intermediate Similarity | NPC208594 |
0.7667 | Intermediate Similarity | NPC26798 |
0.7667 | Intermediate Similarity | NPC160816 |
0.7667 | Intermediate Similarity | NPC127801 |
0.7667 | Intermediate Similarity | NPC69737 |
0.7667 | Intermediate Similarity | NPC194842 |
0.7667 | Intermediate Similarity | NPC208477 |
0.7667 | Intermediate Similarity | NPC152584 |
0.7661 | Intermediate Similarity | NPC307642 |
0.7661 | Intermediate Similarity | NPC469348 |
0.7661 | Intermediate Similarity | NPC476693 |
0.7661 | Intermediate Similarity | NPC469347 |
0.7647 | Intermediate Similarity | NPC16520 |
0.7647 | Intermediate Similarity | NPC157659 |
0.7647 | Intermediate Similarity | NPC211879 |
0.7647 | Intermediate Similarity | NPC245280 |
0.7647 | Intermediate Similarity | NPC114874 |
0.7647 | Intermediate Similarity | NPC120123 |
0.7647 | Intermediate Similarity | NPC189852 |
0.7647 | Intermediate Similarity | NPC16573 |
0.7647 | Intermediate Similarity | NPC473020 |
0.7647 | Intermediate Similarity | NPC286969 |
0.7647 | Intermediate Similarity | NPC31907 |
0.7647 | Intermediate Similarity | NPC155010 |
0.7647 | Intermediate Similarity | NPC472252 |
0.7647 | Intermediate Similarity | NPC131479 |
0.7647 | Intermediate Similarity | NPC213190 |
0.7647 | Intermediate Similarity | NPC8039 |
0.7642 | Intermediate Similarity | NPC470748 |
0.7638 | Intermediate Similarity | NPC229962 |
0.7638 | Intermediate Similarity | NPC195560 |
0.7627 | Intermediate Similarity | NPC267510 |
0.7627 | Intermediate Similarity | NPC470434 |
0.7623 | Intermediate Similarity | NPC476835 |
0.7603 | Intermediate Similarity | NPC181467 |
0.7603 | Intermediate Similarity | NPC46981 |
0.7603 | Intermediate Similarity | NPC473469 |
0.7586 | Intermediate Similarity | NPC207617 |
0.7583 | Intermediate Similarity | NPC273879 |
0.7583 | Intermediate Similarity | NPC93352 |
0.7583 | Intermediate Similarity | NPC165033 |
0.7583 | Intermediate Similarity | NPC75608 |
0.7578 | Intermediate Similarity | NPC50689 |
0.7578 | Intermediate Similarity | NPC207243 |
0.7578 | Intermediate Similarity | NPC198325 |
0.7578 | Intermediate Similarity | NPC233391 |
0.7563 | Intermediate Similarity | NPC136816 |
0.7559 | Intermediate Similarity | NPC160888 |
0.7559 | Intermediate Similarity | NPC475403 |
0.7559 | Intermediate Similarity | NPC475357 |
0.7542 | Intermediate Similarity | NPC469942 |
0.7542 | Intermediate Similarity | NPC7341 |
0.7542 | Intermediate Similarity | NPC473200 |
0.7541 | Intermediate Similarity | NPC7213 |
0.754 | Intermediate Similarity | NPC146652 |
0.754 | Intermediate Similarity | NPC279638 |
0.754 | Intermediate Similarity | NPC148965 |
0.752 | Intermediate Similarity | NPC144068 |
0.752 | Intermediate Similarity | NPC478137 |
0.7519 | Intermediate Similarity | NPC476545 |
0.7519 | Intermediate Similarity | NPC476543 |
0.7519 | Intermediate Similarity | NPC249553 |
0.7519 | Intermediate Similarity | NPC476544 |
0.7519 | Intermediate Similarity | NPC182900 |
0.75 | Intermediate Similarity | NPC161738 |
0.75 | Intermediate Similarity | NPC123796 |
0.75 | Intermediate Similarity | NPC473633 |
0.75 | Intermediate Similarity | NPC473198 |
0.75 | Intermediate Similarity | NPC114188 |
0.75 | Intermediate Similarity | NPC476085 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC94881 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 |
---|---|---|---|
0.873 | High Similarity | NPD8449 | Approved |
0.8661 | High Similarity | NPD8450 | Suspended |
0.7045 | Intermediate Similarity | NPD8294 | Approved |
0.7045 | Intermediate Similarity | NPD8377 | Approved |
0.6992 | Remote Similarity | NPD8033 | Approved |
0.6992 | Remote Similarity | NPD8335 | Approved |
0.6992 | Remote Similarity | NPD8378 | Approved |
0.6992 | Remote Similarity | NPD8380 | Approved |
0.6992 | Remote Similarity | NPD8379 | Approved |
0.6992 | Remote Similarity | NPD8296 | Approved |
0.6891 | Remote Similarity | NPD8171 | Discontinued |
0.6772 | Remote Similarity | NPD6412 | Phase 2 |
0.6691 | Remote Similarity | NPD8336 | Approved |
0.6691 | Remote Similarity | NPD8337 | Approved |
0.6642 | Remote Similarity | NPD7327 | Approved |
0.6642 | Remote Similarity | NPD7328 | Approved |
0.6639 | Remote Similarity | NPD7991 | Discontinued |
0.6593 | Remote Similarity | NPD7516 | Approved |
0.6591 | Remote Similarity | NPD8133 | Approved |
0.6515 | Remote Similarity | NPD6430 | Approved |
0.6515 | Remote Similarity | NPD6429 | Approved |
0.6496 | Remote Similarity | NPD7503 | Approved |
0.6444 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.6412 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.637 | Remote Similarity | NPD7754 | Approved |
0.637 | Remote Similarity | NPD7755 | Approved |
0.6357 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.6336 | Remote Similarity | NPD8174 | Phase 2 |
0.6324 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.6312 | Remote Similarity | NPD7507 | Approved |
0.6286 | Remote Similarity | NPD7122 | Discontinued |
0.6286 | Remote Similarity | NPD8328 | Phase 3 |
0.6276 | Remote Similarity | NPD8338 | Approved |
0.6275 | Remote Similarity | NPD7625 | Phase 1 |
0.6259 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.6224 | Remote Similarity | NPD7736 | Approved |
0.6214 | Remote Similarity | NPD6370 | Approved |
0.6212 | Remote Similarity | NPD6686 | Approved |
0.6183 | Remote Similarity | NPD7333 | Discontinued |
0.6181 | Remote Similarity | NPD7319 | Approved |
0.6154 | Remote Similarity | NPD8293 | Discontinued |
0.6143 | Remote Similarity | NPD8517 | Approved |
0.6143 | Remote Similarity | NPD8515 | Approved |
0.6143 | Remote Similarity | NPD8516 | Approved |
0.6138 | Remote Similarity | NPD8392 | Approved |
0.6138 | Remote Similarity | NPD8390 | Approved |
0.6138 | Remote Similarity | NPD8391 | Approved |
0.6127 | Remote Similarity | NPD8341 | Approved |
0.6127 | Remote Similarity | NPD8299 | Approved |
0.6127 | Remote Similarity | NPD8342 | Approved |
0.6127 | Remote Similarity | NPD8340 | Approved |
0.6099 | Remote Similarity | NPD8080 | Discontinued |
0.6084 | Remote Similarity | NPD8451 | Approved |
0.6071 | Remote Similarity | NPD6059 | Approved |
0.6071 | Remote Similarity | NPD6054 | Approved |
0.6066 | Remote Similarity | NPD7524 | Approved |
0.6063 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.6054 | Remote Similarity | NPD6845 | Suspended |
0.6043 | Remote Similarity | NPD7641 | Discontinued |
0.6042 | Remote Similarity | NPD8448 | Approved |
0.604 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.6028 | Remote Similarity | NPD8513 | Phase 3 |
0.6014 | Remote Similarity | NPD6940 | Discontinued |
0.6 | Remote Similarity | NPD7518 | Approved |
0.6 | Remote Similarity | NPD7519 | Approved |
0.6 | Remote Similarity | NPD6942 | Approved |
0.6 | Remote Similarity | NPD7517 | Approved |
0.6 | Remote Similarity | NPD7339 | Approved |
0.5973 | Remote Similarity | NPD8415 | Approved |
0.5956 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.595 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5944 | Remote Similarity | NPD6067 | Discontinued |
0.5915 | Remote Similarity | NPD6015 | Approved |
0.5915 | Remote Similarity | NPD6016 | Approved |
0.5915 | Remote Similarity | NPD6909 | Approved |
0.5915 | Remote Similarity | NPD6908 | Approved |
0.5912 | Remote Similarity | NPD8078 | Approved |
0.5912 | Remote Similarity | NPD8077 | Approved |
0.5903 | Remote Similarity | NPD7492 | Approved |
0.5896 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD6928 | Phase 2 |
0.5882 | Remote Similarity | NPD7525 | Registered |
0.5874 | Remote Similarity | NPD5988 | Approved |
0.5868 | Remote Similarity | NPD6695 | Phase 3 |
0.5862 | Remote Similarity | NPD6616 | Approved |
0.5827 | Remote Similarity | NPD6399 | Phase 3 |
0.5822 | Remote Similarity | NPD7078 | Approved |
0.5821 | Remote Similarity | NPD5357 | Phase 1 |
0.5821 | Remote Similarity | NPD6640 | Phase 3 |
0.5812 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD7750 | Discontinued |
0.5798 | Remote Similarity | NPD7645 | Phase 2 |
0.5797 | Remote Similarity | NPD7335 | Phase 2 |
0.5797 | Remote Similarity | NPD7336 | Phase 2 |
0.5797 | Remote Similarity | NPD7337 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.5772 | Remote Similarity | NPD7260 | Phase 2 |
0.5753 | Remote Similarity | NPD8273 | Phase 1 |
0.5714 | Remote Similarity | NPD8074 | Phase 3 |
0.5705 | Remote Similarity | NPD6914 | Discontinued |
0.5694 | Remote Similarity | NPD6921 | Approved |
0.5691 | Remote Similarity | NPD4786 | Approved |
0.5683 | Remote Similarity | NPD8297 | Approved |
0.5683 | Remote Similarity | NPD6882 | Approved |
0.568 | Remote Similarity | NPD4751 | Clinical (unspecified phase) |
0.5678 | Remote Similarity | NPD6933 | Approved |
0.5676 | Remote Similarity | NPD6033 | Approved |
0.5672 | Remote Similarity | NPD7912 | Approved |
0.5672 | Remote Similarity | NPD7987 | Approved |
0.5672 | Remote Similarity | NPD7986 | Approved |
0.5672 | Remote Similarity | NPD7911 | Approved |
0.5669 | Remote Similarity | NPD3168 | Discontinued |
0.5667 | Remote Similarity | NPD6929 | Approved |
0.5662 | Remote Similarity | NPD8140 | Approved |
0.5634 | Remote Similarity | NPD6009 | Approved |
0.5625 | Remote Similarity | NPD6319 | Approved |
0.562 | Remote Similarity | NPD6931 | Approved |
0.562 | Remote Similarity | NPD6930 | Phase 2 |
0.5617 | Remote Similarity | NPD8389 | Clinical (unspecified phase) |
0.5616 | Remote Similarity | NPD7604 | Phase 2 |
0.5616 | Remote Similarity | NPD7829 | Approved |
0.5616 | Remote Similarity | NPD7642 | Approved |
0.5616 | Remote Similarity | NPD7830 | Approved |
0.5606 | Remote Similarity | NPD7638 | Approved |
PubChem CID   | 30185 |
ChEMBL   | CHEMBL1212997 |
ZINC   |
Molecular Weight:   | 867.50 |
ALogP:   | -4.2126 |
MLogP:   | 4.65 |
XLogP:   | 2.664 |
# Rotatable Bonds:   | 22 |
Polar Surface Area:   | 240.69 |
# H-Bond Aceptor:   | 16 |
# H-Bond Donor:   | 9 |
# Rings:   | 9 |
# Heavy Atoms:   | 61 |