⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14361189 | 0.80 | — | — | |
| SCHEMBL28166441 | 0.68 | — | — | |
| SCHEMBL872395 | 0.67 | — | — | |
| SCHEMBL28787552 | 0.67 | — | — | |
| SCHEMBL3631347 | 0.67 | — | — | |
| SCHEMBL10512160 | 0.67 | — | — | |
| SCHEMBL2499734 | 0.64 | — | — | |
| SCHEMBL2881309 | 0.64 | — | — | |
| SCHEMBL7223315 | 0.64 | — | — | |
| SCHEMBL28598343 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |