⚠ 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 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL11216455 | 0.77 | — | — | |
| SCHEMBL7207392 | 0.75 | — | — | |
| SCHEMBL7207398 | 0.75 | — | — | |
| SCHEMBL11212835 | 0.69 | — | — | |
| SCHEMBL11212833 | 0.68 | — | — | |
| SCHEMBL11216915 | 0.68 | CYP3A4 (0.33) | — | |
| SCHEMBL9272603 | 0.66 | POLB (0.43) | — | |
| SCHEMBL18636049 | 0.64 | — | — | |
| SCHEMBL11010534 | 0.64 | ALDH1A1 (0.31) | — |
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 1 patent. 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 |