⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31507598 | 0.91 | PIK3CA (0.31) | — | |
| SCHEMBL31507630 | 0.88 | — | — | |
| SCHEMBL31507891 | 0.87 | — | — | |
| SCHEMBL31507873 | 0.87 | — | — | |
| SCHEMBL31507816 | 0.86 | PIK3CA (0.32) | — | |
| SCHEMBL31507712 | 0.86 | — | — | |
| SCHEMBL31507687 | 0.85 | PIK3CA (0.31) | — | |
| SCHEMBL31507770 | 0.85 | — | — | |
| SCHEMBL31507932 | 0.85 | — | — | |
| SCHEMBL31507895 | 0.85 | — | — |
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-2025072392-A1 | TRIAZOLOPYRIDINYL ETHER LINKED COMPOUNDS AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2025-04-03 | — | — | WO | disclosed |