⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22689498 | 0.78 | — | — | |
| SCHEMBL20730784 | 0.78 | — | — | |
| SCHEMBL2008850 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4007389 | 0.76 | CA1 (0.38) | — | |
| SCHEMBL9496246 | 0.75 | RELA (0.53) | — | |
| SCHEMBL24376783 | 0.74 | — | — | |
| SCHEMBL5296486 | 0.74 | — | — | |
| SCHEMBL6263448 | 0.74 | — | — | |
| SCHEMBL9233467 | 0.74 | — | — | |
| SCHEMBL5787212 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230382889-A1 | COMPOUNDS FOR INHIBITING KIF18A | VOLASTRA THERAPEUTICS, INC. (US) | 2023-11-30 | — | — | US | disclosed |
| US-20230159477-A1 | PROCESSES FOR PREPARING OXATHIAZIN-LIKE COMPOUNDS | GEISTLICH PHARMA AG (CH) | 2023-05-25 | — | — | US | disclosed |
| WO-2017132432-A1 | BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA | VITAE PHARMACEUTICALS, INC. (US) | 2017-08-03 | — | — | WO | disclosed |