⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22810858 | 0.80 | — | — | |
| SCHEMBL19805111 | 0.78 | GUCY1B2 (0.34) | — | |
| SCHEMBL17502521 | 0.77 | GUCY1B2 (0.33) | — | |
| SCHEMBL4409011 | 0.69 | NPC1 (0.36) | — | |
| SCHEMBL17502549 | 0.69 | — | — | |
| SCHEMBL4408938 | 0.67 | — | — | |
| SCHEMBL4409277 | 0.67 | — | — | |
| SCHEMBL4413308 | 0.67 | — | — | |
| SCHEMBL31727919 | 0.65 | — | — | |
| SCHEMBL4406824 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100152185-A1 | DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | CHU LIN | 2010-06-17 | — | — | US | disclosed |
| US-7629467-B2 | 5-lipoxygenase activating protein inhibitors; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents | MERCK & CO., INC. (US) | 2009-12-08 | — | — | US | disclosed |