⚠ 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 SCHEMBL11073320 | 0.98 | — | — | |
| SCHEMBL2830891 | 0.78 | — | — | |
| SCHEMBL4905447 | 0.76 | — | — | |
| SCHEMBL8014968 | 0.76 | — | — | |
| SCHEMBL5791428 | 0.76 | — | — | |
| SCHEMBL10376001 | 0.76 | — | — | |
| SCHEMBL10964788 | 0.76 | — | — | |
| SCHEMBL711376 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL917 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11527267 | 0.74 | TDP1 (0.70) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-0279161-B1 | A process for the preparation of cimetidine | LEK TOVARNA FARMACEVTSKIH (SI) | 1994-01-05 | — | — | EP | disclosed |
| EP-0117345-B1 | AMINOPYRIMIDINONES AS HISTAMINE H2-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-02-28 | — | — | EP | disclosed |
| US-4855439-A | Process for the preparation of cimetidine | LEK (YU) | 1989-08-08 | — | — | US | disclosed |
| US-4808589-A | Pyrimidone derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1989-02-28 | — | — | 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-4540699-A | N-Substituted pyridinones having histamine H2 -antagonist activity | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-09-10 | — | — | US | disclosed |
| EP-0117345-A2 | Aminopyrimidinones as histamine H2-antagonists | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-09-05 | — | — | EP | disclosed |
| US-4447621-A | Use of N-cyano-N'-methyl-N\"-[2-(5-methyl-4-imidazolylmethyldithio)ethyl]guanidine in the preparation of cimetidine | SK&F LAB CO. (US) | 1984-05-08 | — | — | US | disclosed |
| EP-0087274-A2 | Pyrimidone derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-08-31 | — | — | EP | disclosed |
| US-4374996-A | Disulfide intermediate for cimetidine | SK & F LAB CO. (US) | 1983-02-22 | — | — | 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-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 |