⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3718131 | 1.00 | — | — | |
| SCHEMBL3295028 | 0.78 | — | — | |
| SCHEMBL58195 | 0.78 | — | — | |
| Water SCHEMBL9078960 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28806784 | 0.76 | — | — | |
| Hydrogen Peroxide SCHEMBL15167446 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL1071454 | 0.71 | CYP3A4 (0.50) | — | |
| SCHEMBL30492599 | 0.71 | CYP3A4 (0.50) | — | |
| SCHEMBL7052424 | 0.67 | — | — | |
| SCHEMBL18312065 | 0.67 | — | — |
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 |