Natural Product: NPC91957
Natural Product ID:   | NPC91957 |
Common Name*:   | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2 |
SMILES:   | C=CCCO
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
69389 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0004603] Organic oxygen compounds
-
[CHEMONTID:0000323] Organooxygen compounds
[CHEMONTID:0000129] Alcohols and polyols[CHEMONTID:0000286] Primary alcohols
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
  Species Source
Organism ID |
Organism Name |
Taxonomy Level |
Family |
SuperKingdom |
Isolation Part |
Collection Location |
Collection Time |
Reference |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
Nigeria(latitude 80°N and longitude 4°E) |
2005; 2006 |
DOI[10.1002/ejlt.201000080] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1007/s11306-010-0259-y] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1007/s11306-014-0638-x] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1007/s11746-997-0093-1] |
NPO14685 |
Swertia franchetiana |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.bse.2004.02.008] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.phytol.2008.07.007] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Seeds |
Plovdiv, Plovdiv region in South Bulgaria |
|
DOI[10.1051/CTV/20163101031] |
NPO947 |
Rauvolfia vomitoria |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1080/01496395.2011.635623] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11170689] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[11312782] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[11312782] |
NPO15659 |
Zanthoxylum tetraspermum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11324918] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11408943] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[12105962] |
NPO26327 |
Chaenomeles sinensis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[14600382] |
NPO15063 |
Leathesia nana |
Species |
Chordariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15497936] |
NPO9516 |
Gnetum latifolium |
Species |
Gnetaceae |
Eukaryota |
stem bark |
Veikabu bridge along the Hiritano highway 40 km from Port Moresby, Papua New Guinea |
1998-FEB |
PMID[16038553] |
NPO6160 |
Vaccinium oxycoccos |
Species |
Ericaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[16417304] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
Esuela Tecnica Superior de Ingenieros Agrónomos de Albacete |
2007 |
PMID[19256538] |
NPO11917 |
Asterospicularia laurae |
Species |
Xeniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19863101] |
NPO17094 |
Sinularia depressa |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20121250] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20826702] |
NPO4181 |
Pseudoalteromonas luteoviolacea |
Species |
Pseudoalteromonadaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[20973551] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21800857] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22537213] |
NPO17094 |
Sinularia depressa |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
Hainan soft coral |
n.a. |
PMID[23357636] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23759170] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Stalks |
n.a. |
n.a. |
PMID[24521157] |
NPO13847 |
Streptomyces avermectinius |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[25611131] |
NPO26327 |
Chaenomeles sinensis |
Species |
Rosaceae |
Eukaryota |
Twigs |
n.a. |
n.a. |
PMID[25894905] |
NPO26327 |
Chaenomeles sinensis |
Species |
Rosaceae |
Eukaryota |
Twigs |
n.a. |
n.a. |
PMID[28358502] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Seeds |
Benedictine Pannonhalma Archabbey, Hungary |
|
PMID[29803478] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31433178] |
NPO13847 |
Streptomyces avermectinius |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[464561] |
NPO14685 |
Swertia franchetiana |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7513747] |
NPO14685 |
Swertia franchetiana |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7561895] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Stem |
n.a. |
n.a. |
Database[FooDB] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO6160 |
Vaccinium oxycoccos |
Species |
Ericaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
Roots |
n.a. |
|
Database[FooDB] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Fruits |
n.a. |
|
Database[FooDB] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Leaf Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
Root Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO26327 |
Chaenomeles sinensis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO13167 |
Scutellaria amoena |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO947 |
Rauvolfia vomitoria |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14685 |
Swertia franchetiana |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[MetaboLights] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO6160 |
Vaccinium oxycoccos |
Species |
Ericaceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26327 |
Chaenomeles sinensis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9516 |
Gnetum latifolium |
Species |
Gnetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16857 |
Hypericum laricifolium |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11641 |
Solanum laxum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13167 |
Scutellaria amoena |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO947 |
Rauvolfia vomitoria |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14685 |
Swertia franchetiana |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO13167 |
Scutellaria amoena |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26327 |
Chaenomeles sinensis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO12703 |
Eucalyptus melliodora |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18022 |
Naucleopsis ternstroemiiflora |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17169 |
Adiantum lunulatum |
Species |
Pteridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17094 |
Sinularia depressa |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13847 |
Streptomyces avermectinius |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21724 |
Sabina sargentii |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17942 |
Wikstroemia retusa |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13167 |
Scutellaria amoena |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14859 |
Bishovia boliviensis |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26327 |
Chaenomeles sinensis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17786 |
Marrubium anisodon |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15552 |
Anacystis montana |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17242 |
Laurencia spectabilis |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO947 |
Rauvolfia vomitoria |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17702 |
Astragalus sempervirens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9516 |
Gnetum latifolium |
Species |
Gnetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16731 |
Phoebe pittieri |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15227 |
Helipterum roseum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15803 |
Artemisia assoana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15467 |
Hedysarum connatum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16857 |
Hypericum laricifolium |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17024 |
Vitis vinifera |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3964 |
Calostephane divaricata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6881 |
Caragana aurantiaca |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14395 |
Lysimachia mauritiana |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16611 |
Alstonia spathulata |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15063 |
Leathesia nana |
Species |
Chordariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17472 |
Drechslera avenae |
Species |
Pleosporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13642 |
Pastinaca sativa |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17544 |
Acacia adunca |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4181 |
Pseudoalteromonas luteoviolacea |
Species |
Pseudoalteromonadaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16089 |
Dumortiera hirsuta |
Species |
Dumortieraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11641 |
Solanum laxum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7562 |
Premna odorata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16493 |
Nasutitermes ephratae |
Species |
Termitoidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11538 |
Salvia syriaca |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15659 |
Zanthoxylum tetraspermum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17400 |
Peltostigma guatemalense |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4325 |
Blastochloris viridis |
Species |
Hyphomicrobiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11917 |
Asterospicularia laurae |
Species |
Xeniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14685 |
Swertia franchetiana |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17865 |
Amathia pinnata |
Species |
Vesiculariidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2507 |
Rumex maritimus |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13407 |
Goniothalamus malayanus |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17633 |
Viguiera incana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8506 |
Cotyledon secunda |
Species |
Crassulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10989 |
Annona cornifolia |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10417 |
Ipomoea digitata |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6160 |
Vaccinium oxycoccos |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16369 |
Lepisorus ussuriensis |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  NP Quantity Composition/Concentration
Organism ID |
NP ID |
Organism Material Preparation |
Organism Part |
NP Quantity (Standard) |
NP Quantity (Minimum) |
NP Quantity (Maximum) |
Quantity Unit |
Reference |
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  Biological Activity
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
  Chemically structural similarity: I. Similar Active Natural Products in NPASS
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
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 NPC91957 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 1148 |
0.1-0.2 | 26815 |
0.2-0.3 | 12000 |
0.3-0.4 | 1991 |
0.4-0.5 | 580 |
0.5-0.6 | 139 |
0.6-0.7 | 17 |
0.7-0.8 | 5 |
0.8-0.85 | 0 |
0.85-0.9 | 2 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Natural Product ID |
  Chemically structural similarity: II. Similar Clinical/Approved Drugs
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC91957 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 1224 |
0.1-0.2 | 6646 |
0.2-0.3 | 1057 |
0.3-0.4 | 178 |
0.4-0.5 | 42 |
0.5-0.6 | 3 |
0.6-0.7 | 0 |
0.7-0.8 | 0 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |