⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21166475 | 0.80 | — | — | |
| SCHEMBL21166491 | 0.80 | FGFR4 (0.34) | — | |
| SCHEMBL17522182 | 0.76 | — | — | |
| SCHEMBL18897246 | 0.71 | FGFR4 (0.35) | — | |
| SCHEMBL23653176 | 0.68 | — | — | |
| SCHEMBL18897275 | 0.67 | FGFR4 (0.38) | — | |
| SCHEMBL21166530 | 0.62 | — | — | |
| SCHEMBL21389789 | 0.62 | PLA2G2C (0.46) | — | |
| SCHEMBL19928701 | 0.62 | PLA2G2C (0.46) | — | |
| SCHEMBL1388451 | 0.60 | CA2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190218220-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-07-18 | — | — | US | disclosed |