⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13133497 | 0.66 | — | — | |
| SCHEMBL428490 | 0.61 | — | — | |
| SCHEMBL8379802 | 0.61 | — | — | |
| SCHEMBL1564364 | 0.61 | — | — | |
| SCHEMBL11488691 | 0.61 | — | — | |
| SCHEMBL9042700 | 0.61 | — | — | |
| SCHEMBL11697913 | 0.61 | ALDH1A1 (0.48) | — | |
| SCHEMBL1692326 | 0.60 | — | — | |
| SCHEMBL1692120 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL8276925 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7476663-B2 | Substituted thiophene carboxamides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-01-13 | — | — | US | disclosed |