⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL162330 | 0.75 | — | — | |
| SCHEMBL5111881 | 0.75 | — | — | |
| SCHEMBL14310014 | 0.71 | — | — | |
| SCHEMBL20715672 | 0.71 | — | — | |
| SCHEMBL19785546 | 0.71 | — | — | |
| SCHEMBL25347085 | 0.71 | — | — | |
| SCHEMBL10602635 | 0.71 | — | — | |
| SCHEMBL20689213 | 0.71 | — | — | |
| SCHEMBL15059285 | 0.71 | — | — | |
| SCHEMBL57441 | 0.71 | — | — |
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-2008107481-A1 | 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2008-09-12 | — | — | WO | disclosed |