⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14061907 | 0.74 | TDP2 (0.42) | — | |
| SCHEMBL17211815 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL14062000 | 0.68 | TDP2 (0.38) | — | |
| SCHEMBL17211814 | 0.68 | — | — | |
| SCHEMBL14062387 | 0.65 | DGAT1 (0.62) | — | |
| SCHEMBL17211835 | 0.63 | DGAT1 (0.66) | — | |
| SCHEMBL14062385 | 0.61 | DGAT1 (0.65) | — | |
| SCHEMBL629836 | 0.57 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL18101502 | 0.57 | — | — | |
| SCHEMBL16263342 | 0.56 | HTT (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 |