⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1263979 | 0.72 | — | — | |
| SCHEMBL4751280 | 0.57 | — | — | |
| SCHEMBL10483463 | 0.57 | — | — | |
| SCHEMBL113494 | 0.51 | — | — | |
| Ammonia Solution, Strong SCHEMBL8627775 | 0.48 | MAOA (0.36) | — | |
| SCHEMBL9149406 | 0.48 | — | — | |
| SCHEMBL1118718 | 0.48 | — | — | |
| Benzoquinone SCHEMBL10506648 | 0.47 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL5308519 | 0.47 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL460082 | 0.47 | ALDH1A1 (1.00) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117487866-A | Enzymatic catalysis method for synthesizing gamma-tertiary alcohol- (S) -alpha-amino acid | 中国科学院上海药物研究所 | 2024-02-02 | — | — | CN | claimed |
| CN-103601741-B | A kind of 2,1,3-diazosulfide 1,4-Dithiapentalene derivative and synthetic method thereof | WUHAN INSTITUTE OF TECHNOLOGY (CN) | 2016-01-06 | — | — | CN | claimed |
| CN-103601741-A | 2,1,3-benzothiadiazoledithiophene derivatives and synthetic method thereof | WUHAN INST TECHNOLOGY | 2014-02-26 | — | — | CN | claimed |
| CN-117487866-A | Enzymatic catalysis method for synthesizing gamma-tertiary alcohol- (S) -alpha-amino acid | 中国科学院上海药物研究所 | 2024-02-02 | — | — | CN | disclosed |
| CN-113912468-B | Method for preparing 2, 2-difluoro-3-hydroxy-1, 4-diketone compound | 台州学院 | 2023-10-03 | — | — | CN | disclosed |
| CN-103601740-B | A kind of 2,1,3-diazosulfide 1,4-Dithiapentalene derives bromo-derivative and synthetic method thereof | WUHAN INSTITUTE OF TECHNOLOGY (CN) | 2016-02-24 | — | — | CN | disclosed |
| CN-103483559-B | A kind of conjugated polymers based on 2,1,3-diazosulfide 1,4-Dithiapentalene derivative and synthetic method thereof | WUHAN INSTITUTE OF TECHNOLOGY (CN) | 2016-02-24 | — | — | CN | disclosed |
| CN-103601741-B | A kind of 2,1,3-diazosulfide 1,4-Dithiapentalene derivative and synthetic method thereof | WUHAN INSTITUTE OF TECHNOLOGY (CN) | 2016-01-06 | — | — | CN | disclosed |
| CN-103483560-B | A kind of 2,1,3-diazosulfide 1,4-Dithiapentalene derives conjugated polymers and the synthetic method thereof of bromo-derivative and carbazole | WUHAN INSTITUTE OF TECHNOLOGY (CN) | 2015-12-02 | — | — | CN | disclosed |
| CN-103601741-A | 2,1,3-benzothiadiazoledithiophene derivatives and synthetic method thereof | WUHAN INST TECHNOLOGY | 2014-02-26 | — | — | CN | disclosed |
| CN-103601740-A | 2,1,3-benzothiadiazoledithiophene derived brominated compounds and synthetic method thereof | WUHAN INST TECHNOLOGY | 2014-02-26 | — | — | CN | disclosed |
| CN-103483560-A | 2,1,3-benzothiadiazole thiophene derived bromide and carbazole conjugated polymer and synthesis method thereof | WUHAN INST TECHNOLOGY | 2014-01-01 | — | — | CN | disclosed |
| CN-103483559-A | Conjugated polymer based on 2,1,3-diazosulfide 2'-bithiophene derivative and synthesis method thereof | WUHAN INST TECHNOLOGY | 2014-01-01 | — | — | CN | disclosed |
| US-4701525-A | Polyazo dyestuffs having high UV absorption | CIBA-GEIGY AG (CH) | 1987-10-20 | — | — | US | disclosed |
| US-4609609-A | ULTRAVIOLET | CIBA GEIGY AG (CH) | 1986-09-02 | — | — | US | disclosed |