⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1169416 | 0.66 | MAPK1 (0.38) | — | |
| SCHEMBL245183 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL5759843 | 0.61 | — | — | |
| SCHEMBL28943672 | 0.60 | CYP3A4 (0.39) | — | |
| SCHEMBL31748350 | 0.60 | CA12 (0.33) | — | |
| SCHEMBL2096975 | 0.60 | — | — | |
| SCHEMBL5313919 | 0.60 | CHKA (0.37) | — | |
| SCHEMBL6423951 | 0.58 | HTR2C (0.32) | — | |
| SCHEMBL2094941 | 0.58 | NOTUM (0.41) | — | |
| SCHEMBL4025127 | 0.57 | PIK3CA (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180148418-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-31 | — | — | US | disclosed |
| CN-101541331-A | Novel macrolides and ketolides with antimicrobial activity | WOCKHARDT RESEARCH CENTER (IN) | 2009-09-23 | — | — | CN | disclosed |