⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10857724 | 0.94 | — | — | |
| SCHEMBL6566354 | 0.65 | — | — | |
| SCHEMBL732704 | 0.65 | — | — | |
| SCHEMBL10382153 | 0.63 | — | — | |
| SCHEMBL15925489 | 0.63 | — | — | |
| SCHEMBL5609556 | 0.62 | — | — | |
| SCHEMBL27244 | 0.62 | — | — | |
| SCHEMBL2283816 | 0.62 | — | — | |
| SCHEMBL2878964 | 0.62 | — | — | |
| SCHEMBL537131 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4576934-A | VASODILATORS | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1986-03-18 | — | — | US | disclosed |
| EP-0141222-A1 | Dihydropyridine-5-phosphonic acid cyclic ester | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1985-05-15 | — | — | EP | disclosed |