⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9922185 | 0.84 | KMT2A (0.41) | — | |
| SCHEMBL13633640 | 0.83 | P2RY12 (0.33) | — | |
| SCHEMBL14228255 | 0.78 | — | — | |
| SCHEMBL9922480 | 0.77 | MAPT (0.34) | — | |
| SCHEMBL12177206 | 0.76 | — | — | |
| SCHEMBL12177230 | 0.71 | HRH3 (0.34) | — | |
| SCHEMBL9922213 | 0.70 | CA12 (0.36) | — | |
| SCHEMBL12177301 | 0.70 | CA12 (0.33) | — | |
| SCHEMBL9922826 | 0.69 | FBP1 (0.43) | — | |
| SCHEMBL9922478 | 0.69 | — | — |
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-7622474-B2 | Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis | PORTOLA PHARMACEUTICALS, INC. (US) | 2009-11-24 | — | — | US | disclosed |