⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2878674 | 0.69 | — | — | |
| SCHEMBL19454706 | 0.69 | — | — | |
| SCHEMBL3621728 | 0.67 | — | — | |
| SCHEMBL8429172 | 0.67 | — | — | |
| SCHEMBL3427488 | 0.67 | — | — | |
| Dimethylamine SCHEMBL3528326 | 0.65 | — | — | |
| SCHEMBL60402 | 0.65 | — | — | |
| SCHEMBL12852765 | 0.65 | — | — | |
| SCHEMBL28986914 | 0.65 | — | — | |
| SCHEMBL16490061 | 0.65 | ALDH1A1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9464082-B2 | Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators | ABBVIE INC. (US) | 2016-10-11 | — | — | US | disclosed |
| US-20150225397-A1 | ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS | REATA PHARMACEUTICALS, INC. | 2015-08-13 | — | — | US | disclosed |
| EP-1656374-B1 | THIAZOLE DERIVATIVES AS NPY ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | EP | disclosed |
| EP-1658288-B1 | 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-12-05 | — | — | EP | disclosed |