⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20763585 | 0.75 | — | — | |
| SCHEMBL21023831 | 0.75 | — | — | |
| SCHEMBL20860761 | 0.68 | — | — | |
| SCHEMBL24139905 | 0.67 | — | — | |
| SCHEMBL19223672 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL29106 | 0.67 | — | — | |
| SCHEMBL23236518 | 0.67 | — | — | |
| SCHEMBL25145082 | 0.63 | — | — | |
| SCHEMBL24663100 | 0.63 | — | — | |
| SCHEMBL16976567 | 0.62 | — | — |
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-2021215656-A1 | BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT | 주식회사 제이맥켐 (KR) | 2021-10-28 | — | — | WO | disclosed |