⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5381311 | 0.79 | CYP4F2 (0.30) | — | |
| SCHEMBL6097168 | 0.78 | TET3 (0.33) | — | |
| SCHEMBL5766997 | 0.73 | — | — | |
| SCHEMBL5766023 | 0.73 | MEN1 (0.34) | — | |
| SCHEMBL5767328 | 0.71 | ADORA1 (0.39) | — | |
| SCHEMBL9934056 | 0.70 | CYP4F2 (0.30) | — | |
| SCHEMBL16796938 | 0.69 | FFAR3 (0.31) | — | |
| SCHEMBL23070893 | 0.68 | — | — | |
| SCHEMBL5764584 | 0.68 | FAAH (0.35) | — | |
| SCHEMBL21359816 | 0.68 | KMT2A (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286967-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2006-09-27 | — | — | EP | disclosed |