⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30189933 | 0.76 | S1PR4 (0.33) | — | |
| SCHEMBL19783603 | 0.76 | S1PR4 (0.33) | — | |
| SCHEMBL21395879 | 0.74 | ENPP2 (0.33) | — | |
| SCHEMBL30189663 | 0.74 | ENPP2 (0.33) | — | |
| SCHEMBL30189775 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL19783559 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL29277947 | 0.68 | HTR1A (0.39) | — | |
| SCHEMBL29939888 | 0.68 | HTR1A (0.39) | — | |
| SCHEMBL8099185 | 0.67 | PDE10A (0.43) | — | |
| SCHEMBL19783554 | 0.66 | LMNA (0.34) | — |
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-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |