⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10877012 | 0.87 | — | — | |
| SCHEMBL5228776 | 0.84 | TRPA1 (0.33) | — | |
| SCHEMBL10924682 | 0.84 | — | — | |
| SCHEMBL10925377 | 0.81 | — | — | |
| SCHEMBL14533300 | 0.81 | — | — | |
| SCHEMBL10924646 | 0.81 | — | — | |
| SCHEMBL10656393 | 0.78 | HPGD (0.39) | — | |
| SCHEMBL10965641 | 0.77 | NPC1 (0.32) | — | |
| SCHEMBL10652691 | 0.71 | ABL1 (0.39) | — | |
| SCHEMBL10876992 | 0.71 | PTGS2 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0064706-B1 | 5-(4-PHENYL-1-PIPERIDINYL)METHYL-2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1985-07-03 | — | — | EP | disclosed |
| US-4371737-A | CARDIOTONICS, ANTIHYPERTENSIUES AND ANTITHROMBOTIC AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1983-02-01 | — | — | US | disclosed |
| EP-0064706-A1 | 5-(4-Phenyl-1-piperidinyl)methyl-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylic acid derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-11-17 | — | — | EP | disclosed |
| US-4329470-A | CORDIOTONIC, HYPOTENSIVE, ANTITHROMBOSIS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-05-11 | — | — | US | disclosed |