⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31489923 | 0.93 | ROCK2 (0.30) | — | |
| SCHEMBL31489578 | 0.89 | ROCK2 (0.31) | — | |
| SCHEMBL31489528 | 0.88 | CCNT1 (0.31) | — | |
| SCHEMBL31489408 | 0.88 | CCNT1 (0.31) | — | |
| SCHEMBL31489710 | 0.88 | CCNT1 (0.31) | — | |
| SCHEMBL31489522 | 0.86 | JAK2 (0.33) | — | |
| SCHEMBL31489395 | 0.84 | NTRK1 (0.31) | — | |
| SCHEMBL31489338 | 0.84 | — | — | |
| SCHEMBL31489609 | 0.82 | CYP11B2 (0.31) | — | |
| SCHEMBL31489829 | 0.82 | CYP11B2 (0.31) | — |
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-2025072395-A1 | TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2025-04-03 | — | — | WO | disclosed |