⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5014122 | 0.76 | — | — | |
| SCHEMBL7568307 | 0.74 | TYR (0.34) | — | |
| SCHEMBL4864404 | 0.73 | — | — | |
| SCHEMBL5023567 | 0.70 | — | — | |
| SCHEMBL11473898 | 0.69 | — | — | |
| SCHEMBL6438961 | 0.69 | — | — | |
| SCHEMBL3954210 | 0.69 | TRPA1 (0.43) | — | |
| SCHEMBL20134621 | 0.68 | — | — | |
| SCHEMBL4954514 | 0.68 | — | — | |
| SCHEMBL9051532 | 0.68 | — | — |
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-0835252-B1 | TRIAZOLE ANTIFUNGAL AGENTS | PFIZER RES & DEV (IE) | 2003-07-30 | — | — | EP | disclosed |
| US-6015825-A | Triazole antifungal agents | PFIZER INC. (US) | 2000-01-18 | — | — | US | disclosed |
| WO-1997001552-A1 | TRIAZOLE ANTIFUNGAL AGENTS | PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) | 1997-01-16 | — | — | WO | disclosed |