⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8633124 | 0.89 | SRD5A1 (0.33) | — | |
| SCHEMBL8996754 | 0.88 | SRD5A1 (0.31) | — | |
| SCHEMBL8642307 | 0.88 | SRD5A1 (0.32) | — | |
| SCHEMBL8639398 | 0.85 | MMP12 (0.30) | — | |
| SCHEMBL8637608 | 0.85 | TRPC6 (0.34) | — | |
| SCHEMBL8636806 | 0.85 | GPR119 (0.33) | — | |
| SCHEMBL8523650 | 0.85 | — | — | |
| SCHEMBL8677090 | 0.83 | CHRNB2 (0.32) | — | |
| SCHEMBL8679405 | 0.82 | OPRM1 (0.34) | — | |
| SCHEMBL8522986 | 0.81 | SRD5A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0792371-A4 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO INC (US) | 1998-12-30 | — | — | EP | claimed |
| EP-0792371-A1 | COMBINATION METHOD FOR ACNE TREATMENT | Merck & Co., Inc. (US) | 1997-09-03 | — | — | EP | claimed |
| WO-1996012817-A1 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO., INC. (US) | 1996-05-02 | — | — | WO | claimed |