⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8628864 | 0.80 | CYP3A4 (0.31) | — | |
| SCHEMBL7207398 | 0.77 | — | — | |
| SCHEMBL7207392 | 0.77 | — | — | |
| SCHEMBL11210149 | 0.77 | — | — | |
| SCHEMBL1082489 | 0.75 | — | — | |
| SCHEMBL7560744 | 0.75 | — | — | |
| SCHEMBL1082490 | 0.75 | — | — | |
| SCHEMBL11212835 | 0.71 | — | — | |
| SCHEMBL11314746 | 0.70 | — | — | |
| SCHEMBL11216915 | 0.70 | CYP3A4 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |