⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL841642 | 0.98 | ALDH1A1 (0.32) | — | |
| SCHEMBL5764422 | 0.80 | — | — | |
| SCHEMBL841367 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL23978870 | 0.78 | — | — | |
| SCHEMBL11373090 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL2292115 | 0.72 | — | — | |
| SCHEMBL19118037 | 0.71 | KDM1A (0.30) | — | |
| SCHEMBL23086688 | 0.71 | DPP4 (0.36) | — | |
| SCHEMBL780900 | 0.71 | CETP (0.34) | — | |
| SCHEMBL878835 | 0.70 | ALDH1A1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0570263-B1 | New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them | ADIR (FR) | 1997-12-03 | — | — | EP | disclosed |
| US-5436343-A | Thromboxane A2 receptor antagonist, thromoboxane A2 synthase inhibitor | ADIR ET COMPAGNIE (FR) | 1995-07-25 | — | — | US | disclosed |
| EP-0570263-A1 | New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them | ADIR ET COMPAGNIE (FR) | 1993-11-18 | — | — | EP | disclosed |