⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL238833 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28986803 | 0.95 | — | — | |
| SCHEMBL138054 | 0.76 | — | — | |
| SCHEMBL25429171 | 0.76 | CYP11B1 (0.34) | — | |
| SCHEMBL110425 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28213058 | 0.74 | — | — | |
| Dimethylamine SCHEMBL19211916 | 0.69 | GRM5 (0.34) | — | |
| SCHEMBL3422108 | 0.69 | CYP11B1 (0.43) | — | |
| SCHEMBL31556447 | 0.69 | CYP11B2 (0.45) | — | |
| SCHEMBL30529445 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4594324-A1 | AZOLE DERIVATIVES AS SHP2 INHIBITORS | IRBM S.P.A. (IT) | 2025-08-06 | — | — | EP | disclosed |