⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27585428 | 0.78 | HSD11B1 (0.30) | — | |
| SCHEMBL27705724 | 0.78 | — | — | |
| SCHEMBL27816875 | 0.75 | — | — | |
| SCHEMBL27982598 | 0.71 | RXFP1 (0.31) | — | |
| SCHEMBL29484652 | 0.71 | — | — | |
| SCHEMBL6032694 | 0.70 | — | — | |
| SCHEMBL27531003 | 0.70 | — | — | |
| SCHEMBL28886911 | 0.69 | RAB9A (0.36) | — | |
| SCHEMBL8226751 | 0.69 | — | — | |
| SCHEMBL27680765 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103214471-A | Novel compound | MITSUBISHI TANABE PHARMA CORP | 2013-07-24 | — | — | CN | disclosed |
| CN-102781915-A | Diacylglycerol acyltransferase inhibitors | PIRAMAL LIFE SCIENCES LTD | 2012-11-14 | — | — | CN | disclosed |
| CN-102574830-A | Substituted 1-cyanoethylheterocyclylcarboxamide compounds 750 | ASTRAZENECA AB | 2012-07-11 | — | — | CN | disclosed |
| CN-1829729-A | Novel compounds | TANABE SEIYAKU CO (JP) | 2006-09-06 | — | — | CN | disclosed |