⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25484400 | 0.72 | — | — | |
| SCHEMBL23793509 | 0.71 | GLP1R (0.33) | — | |
| SCHEMBL23502436 | 0.68 | P2RX3 (0.33) | — | |
| SCHEMBL22186142 | 0.68 | SQOR (0.38) | — | |
| SCHEMBL21160867 | 0.67 | ALOX5AP (0.41) | — | |
| SCHEMBL18779070 | 0.66 | GCGR (0.33) | — | |
| SCHEMBL17816242 | 0.65 | GABRA2 (0.30) | — | |
| SCHEMBL26137563 | 0.65 | — | — | |
| SCHEMBL27114763 | 0.65 | CYP3A4 (0.32) | — | |
| SCHEMBL15853598 | 0.65 | TRPA1 (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-2022048605-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATIONS | 南昌奥瑞药业有限公司 | 2022-03-10 | — | — | WO | disclosed |