⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9786577 | 0.71 | L3MBTL1 (0.46) | — | |
| SCHEMBL11290547 | 0.67 | PDE3B (0.33) | — | |
| SCHEMBL7065550 | 0.63 | L3MBTL1 (0.34) | — | |
| SCHEMBL269470 | 0.59 | HCAR2 (0.32) | — | |
| SCHEMBL20535214 | 0.57 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL21853414 | 0.55 | NCOA1 (0.35) | — | |
| SCHEMBL26903509 | 0.55 | NPC1 (0.39) | — | |
| Trimethylammonium SCHEMBL27557318 | 0.55 | TYMP (0.37) | — | |
| SCHEMBL22783664 | 0.54 | JAK2 (0.61) | — | |
| SCHEMBL27906010 | 0.52 | TSHR (0.36) | — |
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-0064705-B1 | 5-AMINOMETHYL-2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-06-18 | — | — | EP | disclosed |
| 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 |
| EP-0064705-A1 | 5-Aminomethyl-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 |