⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21166479 | 0.78 | S1PR1 (0.37) | — | |
| SCHEMBL17522181 | 0.77 | FGFR2 (0.32) | — | |
| SCHEMBL21166544 | 0.74 | FGFR2 (0.32) | — | |
| SCHEMBL21166491 | 0.70 | FGFR4 (0.34) | — | |
| SCHEMBL22648458 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL18897412 | 0.64 | ZDHHC20 (0.39) | — | |
| SCHEMBL21166554 | 0.64 | ZDHHC20 (0.39) | — | |
| SCHEMBL18897406 | 0.62 | ZDHHC20 (0.37) | — | |
| SCHEMBL20273150 | 0.62 | SPHK1 (0.38) | — | |
| SCHEMBL22157406 | 0.59 | ADH1B (0.41) | — |
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 |