⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7691127 | 0.76 | PGR (0.33) | — | |
| SCHEMBL8761410 | 0.75 | BRAF (0.34) | — | |
| SCHEMBL6670192 | 0.72 | SCN9A (0.33) | — | |
| SCHEMBL7027406 | 0.69 | GPBAR1 (0.32) | — | |
| SCHEMBL8124535 | 0.69 | — | — | |
| SCHEMBL7026390 | 0.66 | AR (0.30) | — | |
| SCHEMBL9312250 | 0.65 | KMO (0.32) | — | |
| SCHEMBL8425512 | 0.65 | TRPV4 (0.35) | — | |
| SCHEMBL8784413 | 0.65 | BRD4 (0.32) | — | |
| SCHEMBL30940103 | 0.63 | KMO (0.32) | — |
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-2002006244-A1 | HETEROCYCLIC SUBSTITUTED HERBICIDAL SULPHONIC ACID ANILIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-01-24 | — | — | WO | disclosed |