⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2304148 | 0.77 | CHRM1 (0.30) | — | |
| SCHEMBL28613782 | 0.73 | LMNA (0.50) | — | |
| SCHEMBL3161996 | 0.71 | — | — | |
| SCHEMBL7656682 | 0.71 | — | — | |
| SCHEMBL760196 | 0.69 | — | — | |
| SCHEMBL7664527 | 0.69 | — | — | |
| SCHEMBL20394575 | 0.69 | — | — | |
| SCHEMBL28574828 | 0.69 | — | — | |
| SCHEMBL9298942 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2354586 | 0.67 | — | — |
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-0318194-B1 | PREPARATION OF ISOTHIAZOLONES | ROHM AND HAAS COMPANY (US) | 1992-04-15 | — | — | EP | disclosed |
| US-4994574-A | Preparation of isothiazolones | ROHM AND HAAS COMPANY | 1991-02-19 | — | — | US | disclosed |
| EP-0318194-A1 | Preparation of isothiazolones | ROHM AND HAAS COMPANY (US) | 1989-05-31 | — | — | EP | disclosed |