⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5240661 | 0.74 | CA1 (0.31) | — | |
| SCHEMBL27848922 | 0.71 | — | — | |
| SCHEMBL15543916 | 0.67 | — | — | |
| SCHEMBL8240556 | 0.64 | — | — | |
| SCHEMBL3657593 | 0.53 | — | — | |
| SCHEMBL21074921 | 0.49 | — | — | |
| SCHEMBL15543061 | 0.49 | — | — | |
| SCHEMBL6415653 | 0.47 | CA1 (0.30) | — | |
| SCHEMBL25626251 | 0.46 | — | — | |
| SCHEMBL8382035 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1432698-A2 | SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003027094-A2 | SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |