⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7266811 | 0.76 | — | — | |
| SCHEMBL7356437 | 0.76 | — | — | |
| SCHEMBL7273627 | 0.76 | — | — | |
| SCHEMBL9761067 | 0.76 | — | — | |
| SCHEMBL7441635 | 0.70 | — | — | |
| SCHEMBL9504234 | 0.69 | NOS1 (0.42) | — | |
| SCHEMBL7265390 | 0.67 | — | — | |
| SCHEMBL10751257 | 0.67 | — | — | |
| SCHEMBL21315696 | 0.64 | — | — | |
| SCHEMBL3815061 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0292981-B1 | 2-SELENOMETHYL-1, 4-DIHYDROPYRIDINES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1991-04-17 | — | — | EP | disclosed |
| EP-0221720-B1 | DIHYDROPYRIDINES | Pfizer Limited (GB) | 1990-06-27 | — | — | EP | disclosed |
| EP-0232025-A2 | Dihydropyridine anti-ischaemic and antihypertensive agents | Pfizer Limited (GB) | 1987-08-12 | — | — | EP | disclosed |
| EP-0221720-A2 | Dihydropyridines | Pfizer Limited (GB) | 1987-05-13 | — | — | EP | disclosed |
| US-4568677-A | CONTROLLED COOLING | PFIZER INC. (US) | 1986-02-04 | — | — | US | disclosed |
| EP-0132375-A2 | Dihydropyridine anti-ischaemic and antihypertensive agents | Pfizer Limited (GB) | 1985-01-30 | — | — | EP | disclosed |