⚠ 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 | |
|---|---|---|---|---|
| Cyanamide SCHEMBL11168251 | 0.84 | — | — | |
| Cyanamide SCHEMBL11695507 | 0.78 | — | — | |
| Water SCHEMBL28759937 | 0.78 | — | — | |
| Thiourea SCHEMBL28064431 | 0.75 | — | — | |
| Water SCHEMBL28696944 | 0.74 | CA1 (0.50) | — | |
| Hydroxyamine SCHEMBL29662341 | 0.74 | — | — | |
| Hydrazine SCHEMBL6807530 | 0.74 | — | — | |
| SCHEMBL8198723 | 0.73 | — | — | |
| SCHEMBL8949845 | 0.73 | — | — | |
| SCHEMBL5691 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979555-B | Process for synthesizing cimetidine | 盐城凯利药业有限公司 | 2021-10-15 | — | — | CN | disclosed |
| CN-112830896-B | Preparation method of cimetidine | 盐城凯利药业有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-112979555-A | Process for synthesizing cimetidine | 盐城凯利药业有限公司 | 2021-06-18 | — | — | CN | disclosed |
| CN-112830896-A | Preparation method of cimetidine | 盐城凯利药业有限公司 | 2021-05-25 | — | — | CN | disclosed |
| US-4413129-A | FROM 4-METHYL-5-HYDROXYMETHYLIMIDAZOLE AND 2-AMINOETHANETHIOLSULFURIC ACID | SOGO PHARMACEUTICAL COMPANY, LTD. (JP) | 1983-11-01 | — | — | US | disclosed |
| US-4250109-A | FROM HEXAMETHYLENEDIAMINE AND AN N-CYANO-O (OR S)-ALKYL-ISO (OR ISOTHIO)UREA | SOGO PHARMACEUTICAL COMPANY LIMITED (JP) | 1981-02-10 | — | — | US | disclosed |