⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14137101 | 0.76 | DGAT1 (0.38) | — | |
| SCHEMBL17211807 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL17211817 | 0.76 | DGAT1 (0.35) | — | |
| SCHEMBL17211816 | 0.71 | CYP26A1 (0.31) | — | |
| SCHEMBL17211810 | 0.70 | MAOA (0.44) | — | |
| SCHEMBL629836 | 0.68 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL17211805 | 0.68 | SIRT2 (0.30) | — | |
| SCHEMBL17211822 | 0.68 | KDM1A (0.33) | — | |
| SCHEMBL17211812 | 0.68 | — | — | |
| SCHEMBL17211813 | 0.67 | CYP26A1 (0.32) | — |
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-9242929-B2 | Compounds as diacylglycerol acyltransferase inhibitors | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-01-26 | — | — | US | disclosed |
| US-20150307445-A1 | Novel Compounds as Diacylglycerol Acyltransferase Inhibitors | GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) | 2015-10-29 | — | — | US | disclosed |