⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3249657 | 0.58 | — | — | |
| SCHEMBL267224 | 0.50 | DRD2 (0.31) | — | |
| SCHEMBL15490831 | 0.47 | — | — | |
| SCHEMBL1935502 | 0.47 | — | — | |
| SCHEMBL13209335 | 0.45 | — | — | |
| SCHEMBL9672763 | 0.45 | — | — | |
| SCHEMBL13651438 | 0.45 | — | — | |
| SCHEMBL10755418 | 0.45 | — | — | |
| SCHEMBL246873 | 0.40 | — | — | |
| SCHEMBL8537 | 0.37 | — | — |
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-0359377-A1 | 1,4-dihydropyridine derivative | NIKKEN CHEMICALS CO., LTD. (JP) | 1990-03-21 | — | — | EP | claimed |
| US-4985558-A | ANTITUMOR AGENTS | NIKKEN CHEMICALS CO., LTD. (JP) | 1991-01-15 | — | — | US | disclosed |
| EP-0359377-A1 | 1,4-dihydropyridine derivative | NIKKEN CHEMICALS CO., LTD. (JP) | 1990-03-21 | — | — | EP | disclosed |