⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12393369 | 0.85 | CCNA2 (0.32) | — | |
| SCHEMBL4565651 | 0.82 | CCNA2 (0.31) | — | |
| SCHEMBL3243651 | 0.73 | EPHX1 (0.37) | — | |
| SCHEMBL12393367 | 0.71 | CCNA2 (0.34) | — | |
| SCHEMBL2606357 | 0.59 | ALOX5 (0.41) | — | |
| SCHEMBL2606340 | 0.59 | ALOX5 (0.41) | — | |
| SCHEMBL2606475 | 0.55 | ALOX5 (0.37) | — | |
| SCHEMBL2918865 | 0.53 | CCNA2 (0.36) | — | |
| SCHEMBL2913586 | 0.52 | CCNA2 (0.39) | — | |
| SCHEMBL967449 | 0.51 | L3MBTL1 (0.49) | — |
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-20090221632-A1 | Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them | PFIZER ITALIA S.R.L. (IT) | 2009-09-03 | — | — | US | disclosed |