⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7270462 | 1.00 | — | — | |
| SCHEMBL9966237 | 0.78 | — | — | |
| SCHEMBL7270557 | 0.75 | ACHE (0.32) | — | |
| SCHEMBL7270560 | 0.75 | ACHE (0.32) | — | |
| SCHEMBL10621260 | 0.70 | PIK3CG (0.35) | — | |
| SCHEMBL25170545 | 0.68 | RXRA (0.36) | — | |
| SCHEMBL25177590 | 0.68 | RXRA (0.36) | — | |
| SCHEMBL12500184 | 0.65 | PARG (0.32) | — | |
| SCHEMBL91599 | 0.65 | — | — | |
| SCHEMBL11919159 | 0.63 | HTT (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4760147-A | Isopropyl 1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2 -yl)pyridine-5-carboxylate | CASSELLA AKTIENGESELLSCHAFT (DE) | 1988-07-26 | — | — | US | disclosed |
| US-4558058-A | HYPOTENSIVE AGENTS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1985-12-10 | — | — | US | disclosed |
| EP-0116708-A1 | Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals | CASSELLA Aktiengesellschaft (DE) | 1984-08-29 | — | — | EP | disclosed |