⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6458034 | 0.72 | — | — | |
| SCHEMBL17192672 | 0.59 | — | — | |
| SCHEMBL5644341 | 0.56 | — | — | |
| SCHEMBL2456759 | 0.55 | — | — | |
| SCHEMBL4101534 | 0.53 | — | — | |
| SCHEMBL17004445 | 0.53 | — | — | |
| SCHEMBL11812602 | 0.53 | — | — | |
| SCHEMBL9676979 | 0.52 | — | — | |
| SCHEMBL14501455 | 0.52 | — | — | |
| SCHEMBL27255505 | 0.49 | HSP90AA1 (0.32) | — |
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-5914406-A | ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMAN-LA ROCHE INC. (US) | 1999-06-22 | — | — | US | disclosed |
| US-5750706-A | TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-12 | — | — | US | disclosed |