⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17107929 | 0.79 | EPHX2 (0.33) | — | |
| SCHEMBL1908658 | 0.76 | — | — | |
| SCHEMBL10795065 | 0.74 | — | — | |
| SCHEMBL5845770 | 0.74 | — | — | |
| SCHEMBL17107894 | 0.74 | — | — | |
| SCHEMBL12945953 | 0.73 | — | — | |
| SCHEMBL17107887 | 0.72 | APOL1 (0.31) | — | |
| SCHEMBL24159303 | 0.70 | TBXAS1 (0.35) | — | |
| SCHEMBL22724002 | 0.67 | HTT (0.36) | — | |
| SCHEMBL178474 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3744721-A1 | CONDENSED CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISM | Shionogi & Co., Ltd (JP) | 2020-12-02 | — | — | EP | disclosed |
| US-20090111825-A1 | THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | US | disclosed |