⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6599897 | 0.86 | — | — | |
| SCHEMBL5378661 | 0.86 | — | — | |
| SCHEMBL5395510 | 0.86 | — | — | |
| SCHEMBL28932232 | 0.84 | PARP10 (0.35) | — | |
| SCHEMBL31026715 | 0.82 | EPHX1 (0.34) | — | |
| SCHEMBL27714453 | 0.79 | MAPT (0.33) | — | |
| SCHEMBL6374615 | 0.78 | — | — | |
| SCHEMBL17827137 | 0.77 | — | — | |
| SCHEMBL1627758 | 0.77 | — | — | |
| SCHEMBL16113146 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5739332-A | DIHYDROXYLATION OF THE CORRESPONDING CYCLOALKENE-1-CARBOXAMIDE | CHIROSCIENCE LIMITED (GB) | 1998-04-14 | — | — | US | claimed |
| CN-104774188-B | Benzo-heterocycle or benzo hetero-aromatic ring analog derivative, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-10-11 | — | — | CN | disclosed |
| CN-106905247-B | Acetamides and application thereof | 华东理工大学 | 2019-05-17 | — | — | CN | disclosed |
| CN-105209429-B | SHIP1 conditioning agents and relative method | 阿奎诺克斯药物（加拿大）公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-106905247-A | Acetamides and application thereof | 华东理工大学 | 2017-06-30 | — | — | CN | disclosed |