⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276064 | 0.97 | — | — | |
| SCHEMBL3150466 | 0.61 | — | — | |
| SCHEMBL2874183 | 0.61 | — | — | |
| SCHEMBL17675345 | 0.61 | — | — | |
| SCHEMBL473200 | 0.58 | — | — | |
| SCHEMBL9218615 | 0.58 | — | — | |
| SCHEMBL292044 | 0.56 | — | — | |
| SCHEMBL154932 | 0.51 | — | — | |
| SCHEMBL29740320 | 0.51 | — | — | |
| SCHEMBL22960697 | 0.49 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630891-A1 | 3-Isothiazolones derivatives and their use as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1994-12-28 | — | — | EP | disclosed |
| US-5321141-A | Reacting an isothiazole with an a,b-unsaturated ketone or aldehyde | ROHM AND HAAS COMPANY (US) | 1994-06-14 | — | — | US | disclosed |
| US-5288693-A | Microbiocides | ROHM AND HAAS COMPANY (US) | 1994-02-22 | — | — | US | disclosed |