⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11488691 | 0.78 | — | — | |
| SCHEMBL9945756 | 0.71 | — | — | |
| SCHEMBL1149596 | 0.71 | — | — | |
| SCHEMBL19063092 | 0.70 | — | — | |
| SCHEMBL2887326 | 0.69 | — | — | |
| SCHEMBL7622419 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11484689 | 0.67 | — | — | |
| SCHEMBL12997813 | 0.67 | — | — | |
| SCHEMBL11739866 | 0.65 | — | — | |
| SCHEMBL10960992 | 0.65 | INMT (0.80) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005111029-A1 | NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-24 | — | — | WO | disclosed |