⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1622552 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL20548246 | 0.70 | — | — | |
| SCHEMBL861152 | 0.66 | — | — | |
| SCHEMBL5881936 | 0.64 | — | — | |
| SCHEMBL1169617 | 0.63 | — | — | |
| SCHEMBL979053 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL2557224 | 0.61 | PTPN2 (0.41) | — | |
| SCHEMBL5208034 | 0.60 | CYP2A6 (0.33) | — | |
| SCHEMBL1623891 | 0.60 | BACE1 (0.30) | — | |
| SCHEMBL1623890 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7928231-B2 | Thienopyrazoles | AVENTIS PHARMACEUTICALS INC. (US) | 2011-04-19 | — | — | US | disclosed |
| EP-1682553-B1 | THIENOPYRAZOLES | AVENTIS PHARMA INC (US) | 2010-05-19 | — | — | EP | disclosed |
| US-20100056514-A1 | THIENOPYRAZOLES | AVENTIS PHARMACEUTICALS INC. (US) | 2010-03-04 | — | — | US | disclosed |
| US-7518000-B2 | Thienopyrazoles | AVENTIS PHARMACEUTICALS, INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-20070254937-A1 | Thienopyrazoles | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-01 | — | — | US | disclosed |
| EP-1682553-A1 | THIENOPYRAZOLES | Aventis Pharmaceuticals Inc. (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005026175-A1 | THIENOPYRAZOLES | AVENTIS PHARMACEUTICALS INC. (US) | 2005-03-24 | — | — | WO | disclosed |