⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11189624 | 1.00 | — | — | |
| SCHEMBL11398058 | 1.00 | — | — | |
| SCHEMBL11585090 | 0.79 | — | — | |
| SCHEMBL11271937 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL27971942 | 0.74 | MME (0.41) | — | |
| SCHEMBL8677748 | 0.74 | — | — | |
| SCHEMBL28278690 | 0.72 | — | — | |
| SCHEMBL10503553 | 0.71 | — | — | |
| SCHEMBL7444407 | 0.70 | — | — | |
| SCHEMBL15305490 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0187956-A2 | Pharmaceutical composition for the treatment of defects of the gastrointestinal mucous membrane | BOEHRINGER INGELHEIM KG (DE) | 1986-07-23 | — | — | EP | claimed |
| EP-0903346-A1 | SYDNONE IMINE DERIVATIVES | Chugai Seiyaku Kabushiki Kaisha (JP) | 1999-03-24 | — | — | EP | disclosed |
| US-5476791-A | Reacting thioacetic acid with methyl methacrylate; contacting the propionate with cells of microorganisms to effect biological and asymmetric hydrolysis; extraction; reacting with L-proline | MITSUBISHI RAYON COMPANY, LIMITED (JP) | 1995-12-19 | — | — | US | disclosed |
| EP-0187956-A2 | Pharmaceutical composition for the treatment of defects of the gastrointestinal mucous membrane | BOEHRINGER INGELHEIM KG (DE) | 1986-07-23 | — | — | EP | disclosed |