⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14228255 | 0.91 | — | — | |
| SCHEMBL12177206 | 0.87 | — | — | |
| SCHEMBL12160938 | 0.84 | FBP1 (0.40) | — | |
| SCHEMBL9922393 | 0.81 | CA12 (0.31) | — | |
| SCHEMBL9922480 | 0.77 | MAPT (0.34) | — | |
| SCHEMBL12177230 | 0.74 | HRH3 (0.34) | — | |
| SCHEMBL14113604 | 0.72 | KCNA1 (0.31) | — | |
| SCHEMBL9922763 | 0.72 | P2RY12 (0.41) | — | |
| SCHEMBL9923168 | 0.71 | — | — | |
| SCHEMBL9922485 | 0.71 | P2RY12 (0.39) | — |
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-20120149688-A1 | PLATELET ADP RECEPTOR INHIBITORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |