⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11402795 | 0.79 | — | — | |
| SCHEMBL266354 | 0.79 | — | — | |
| SCHEMBL456665 | 0.72 | — | — | |
| SCHEMBL1050915 | 0.70 | — | — | |
| SCHEMBL260002 | 0.69 | — | — | |
| SCHEMBL28166208 | 0.69 | — | — | |
| SCHEMBL46404 | 0.69 | — | — | |
| SCHEMBL14290532 | 0.69 | — | — | |
| SCHEMBL28166209 | 0.67 | — | — | |
| SCHEMBL6161854 | 0.67 | RAB9A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1747217-A1 | NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005111029-A1 | NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-24 | — | — | WO | disclosed |