⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2253713 | 0.97 | — | — | |
| SCHEMBL21765657 | 0.97 | NAAA (0.48) | — | |
| Hydrochloric Acid SCHEMBL22466294 | 0.95 | — | — | |
| SCHEMBL12137089 | 0.89 | NAAA (0.43) | — | |
| SCHEMBL28793071 | 0.89 | SMYD3 (0.46) | — | |
| SCHEMBL13632536 | 0.89 | NAAA (0.43) | — | |
| SCHEMBL10174984 | 0.89 | CYP19A1 (0.51) | — | |
| SCHEMBL777794 | 0.89 | NAAA (0.43) | — | |
| SCHEMBL10175028 | 0.89 | NAAA (0.43) | — | |
| SCHEMBL27889866 | 0.89 | SMYD3 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105039361-B | Carbonyl reduction enzyme gene, codase, carrier, bacterial strain and application | 浙江工业大学 | 2019-08-30 | — | — | CN | disclosed |
| CN-105039361-A | Carbonyl reductase gene, codase, vector, strain and application of gene | UNIV ZHEJIANG TECHNOLOGY | 2015-11-11 | — | — | CN | disclosed |
| CN-1283115-A | Composition for treating respiratory and skin diseases, comprising at least one leukotriene antagonist and at least one antihistamine | SCHERING CORP (US) | 2001-02-07 | — | — | CN | disclosed |