⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16804008 | 0.76 | — | — | |
| SCHEMBL890082 | 0.73 | — | — | |
| SCHEMBL12248415 | 0.71 | — | — | |
| SCHEMBL6797394 | 0.71 | — | — | |
| SCHEMBL2263513 | 0.71 | — | — | |
| SCHEMBL668578 | 0.71 | — | — | |
| SCHEMBL5154772 | 0.71 | — | — | |
| SCHEMBL30414750 | 0.70 | ESR1 (0.32) | — | |
| SCHEMBL2115998 | 0.70 | HAO1 (0.31) | — | |
| SCHEMBL16930521 | 0.70 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8637507-B2 | Bicyclic compounds as inhibitors of diacylglycerol acyltransferase | MERCK SHARP & DOHME CORP. (US) | 2014-01-28 | — | — | US | disclosed |
| US-20120022057-A1 | BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE | SCHERING CORPORATION (US) | 2012-01-26 | — | — | US | disclosed |
| US-20110319403-A1 | BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE | SCHERING CORPORATION (US) | 2011-12-29 | — | — | US | disclosed |
| US-20110224137-A1 | INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE | MERCK SHARP & DOHME CORP. | 2011-09-15 | — | — | US | disclosed |
| US-20110224137-A1 | INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE | MERCK SHARP & DOHME CORP. | 2011-09-15 | — | — | US | disclosed |
| US-20110224136-A1 | INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE | MERCK SHARP & DOHME CORP | 2011-09-15 | — | — | US | disclosed |