⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1608778 | 0.76 | — | — | |
| SCHEMBL541997 | 0.73 | — | — | |
| SCHEMBL7675023 | 0.73 | — | — | |
| SCHEMBL27811330 | 0.73 | — | — | |
| SCHEMBL31692119 | 0.72 | — | — | |
| SCHEMBL31375744 | 0.72 | — | — | |
| SCHEMBL8345761 | 0.72 | — | — | |
| SCHEMBL31375740 | 0.72 | — | — | |
| SCHEMBL4891328 | 0.71 | — | — | |
| SCHEMBL27553143 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103342695-B | 1',3'-disubstituted-4-pheny-3,4,5,6-tetrahydro-2H,1'H-[1,4']bipyridinyl-2'-ones | ORTHO MCNEIL JANSSEN PHARM | 2015-04-22 | — | — | CN | disclosed |