⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6272478 | 0.61 | — | — | |
| SCHEMBL7265338 | 0.61 | — | — | |
| SCHEMBL9275258 | 0.56 | — | — | |
| SCHEMBL7690577 | 0.46 | — | — | |
| SCHEMBL13978335 | 0.43 | — | — | |
| SCHEMBL4450393 | 0.42 | — | — | |
| SCHEMBL8386307 | 0.42 | — | — | |
| SCHEMBL4590897 | 0.41 | — | — | |
| SCHEMBL1300603 | 0.40 | — | — | |
| SCHEMBL2362493 | 0.40 | KDM4E (0.41) | — |
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-0233015-B1 | 1,4-Dihydropyridines | WYETH JOHN & BROTHER LTD (GB) | 1995-10-18 | — | — | EP | claimed |
| US-5616579-A | ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER | SANKYO COMPANY, LIMITED (JP) | 1997-04-01 | — | — | US | disclosed |
| EP-0233015-B1 | 1,4-Dihydropyridines | WYETH JOHN & BROTHER LTD (GB) | 1995-10-18 | — | — | EP | disclosed |