⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5695339 | 0.73 | — | — | |
| SCHEMBL6681533 | 0.63 | — | — | |
| Water SCHEMBL8221745 | 0.58 | — | — | |
| SCHEMBL31481251 | 0.54 | MEN1 (0.36) | — | |
| SCHEMBL2338031 | 0.52 | — | — | |
| SCHEMBL4073685 | 0.48 | — | — | |
| Water SCHEMBL8221741 | 0.46 | — | — | |
| SCHEMBL4294981 | 0.45 | — | — | |
| SCHEMBL3262997 | 0.45 | — | — | |
| SCHEMBL10806764 | 0.45 | — | — |
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-4658262-A1 | BICYCLIC IMIDE COMPOUNDS AS TRPA1 INHIBITORS | D.E. Shaw Research, LLC (US) | 2025-12-10 | — | — | EP | disclosed |
| WO-2024163333-A1 | BICYCLIC IMIDE COMPOUNDS AS TRPA1 INHIBITORS | D. E. SHAW RESEARCH, LLC (US) | 2024-08-08 | — | — | WO | disclosed |