⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8926415 | 0.86 | SRD5A1 (0.56) | — | |
| SCHEMBL8926929 | 0.84 | SRD5A1 (0.58) | — | |
| SCHEMBL8925992 | 0.84 | SRD5A1 (0.54) | — | |
| SCHEMBL8925509 | 0.84 | SRD5A1 (0.52) | — | |
| SCHEMBL8724712 | 0.80 | SRD5A1 (0.60) | — | |
| SCHEMBL8724708 | 0.80 | SRD5A1 (0.60) | — | |
| SCHEMBL8927054 | 0.80 | — | — | |
| SCHEMBL8925230 | 0.78 | SRD5A2 (0.54) | — | |
| SCHEMBL8925247 | 0.78 | SRD5A2 (0.54) | — | |
| SCHEMBL8925240 | 0.78 | SRD5A2 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5693809-A | PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |