⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11198159 | 0.98 | TDP1 (0.55) | — | |
| SCHEMBL11379774 | 0.79 | HRH2 (0.50) | — | |
| SCHEMBL11381375 | 0.76 | HRH2 (0.47) | — | |
| SCHEMBL2830891 | 0.75 | — | — | |
| SCHEMBL9624460 | 0.74 | GABRR1 (0.54) | — | |
| SCHEMBL2830017 | 0.74 | HRH2 (0.44) | — | |
| SCHEMBL4905447 | 0.73 | — | — | |
| SCHEMBL5791428 | 0.73 | — | — | |
| SCHEMBL8014968 | 0.73 | — | — | |
| SCHEMBL10376001 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0279161-B1 | A process for the preparation of cimetidine | LEK TOVARNA FARMACEVTSKIH (SI) | 1994-01-05 | — | — | EP | disclosed |
| US-4855439-A | Process for the preparation of cimetidine | LEK (YU) | 1989-08-08 | — | — | US | disclosed |
| EP-0279161-A2 | A process for the preparation of cimetidine | LEK, tovarna farmacevtskih in kemicnih izdelkov, n.sol.o. (SI) | 1988-08-24 | — | — | EP | disclosed |
| US-4267337-A | Imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1981-05-12 | — | — | US | disclosed |
| US-4215217-A | Process for preparing 4-substituted imidazole compounds | SK&F LAB CO. (US) | 1980-07-29 | — | — | US | disclosed |
| US-4200761-A | Process for preparing N-cyano-N'methyl-N\"-{2-[(4-methyl-5-imidazolyl)-methylthio]-ethyl} guanidine | LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) | 1980-04-29 | — | — | US | disclosed |
| US-4163858-A | Process for preparing new imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1979-08-07 | — | — | US | disclosed |
| US-4139708-A | Intermediates and processes useful for preparing medicinal agents imidazolemethylphosphonium salts | SK&F LAB CO. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4119781-A | Process for preparing 4-substituted imidazole compounds | SK&F LAB CO. (US) | 1978-10-10 | — | — | US | disclosed |
| US-4104472-A | Imidazolemethylphosphonium salts | SMITHKLINE CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |