⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7418018 | 0.75 | PNMT (0.38) | — | |
| SCHEMBL13678348 | 0.72 | CYP3A4 (0.36) | — | |
| SCHEMBL10780065 | 0.70 | SIGMAR1 (0.42) | — | |
| SCHEMBL7655859 | 0.68 | PTGS1 (0.32) | — | |
| SCHEMBL6508471 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL9024306 | 0.67 | TYMS (0.35) | — | |
| SCHEMBL8109774 | 0.65 | FFAR4 (0.35) | — | |
| SCHEMBL9367610 | 0.65 | HTR2A (0.39) | — | |
| SCHEMBL9014737 | 0.64 | TYMS (0.40) | — | |
| SCHEMBL4533624 | 0.64 | CYP1A2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0555235-A4 | ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | — | 1993-11-10 | — | — | EP | disclosed |
| EP-0555235-A1 | ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1993-08-18 | — | — | EP | disclosed |
| WO-1992006092-A1 | ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-04-16 | — | — | WO | disclosed |