⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27082354 | 0.82 | CA2 (0.32) | — | |
| SCHEMBL11839327 | 0.78 | — | — | |
| SCHEMBL4862 | 0.73 | — | — | |
| SCHEMBL1812942 | 0.73 | — | — | |
| SCHEMBL887184 | 0.72 | THRB (0.33) | — | |
| SCHEMBL28787622 | 0.72 | CA2 (0.31) | — | |
| SCHEMBL7500944 | 0.71 | — | — | |
| SCHEMBL9472024 | 0.71 | — | — | |
| SCHEMBL2332578 | 0.71 | THRB (0.42) | — | |
| SCHEMBL13541655 | 0.71 | THRB (0.42) | — |
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-1673355-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | Pfizer Limited (GB) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005028452-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-03-31 | — | — | WO | disclosed |
| US-6395858-B1 | AMINOALKYLSILANOL AND SIMILAR COMPOUNDS | DEGUSSA AG (DE) | 2002-05-28 | — | — | US | disclosed |