⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276994 | 0.77 | — | — | |
| SCHEMBL14592819 | 0.77 | — | — | |
| SCHEMBL11940027 | 0.77 | — | — | |
| SCHEMBL10653224 | 0.74 | — | — | |
| SCHEMBL28096846 | 0.74 | — | — | |
| SCHEMBL3351302 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL20098013 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL15759829 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL27969796 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL9823163 | 0.70 | — | — |
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-1227240-C | Process for producing 2-alkyl-4-isothiazoline-3-one | KEMEKORIYA KK (JP) | 2005-11-16 | — | — | CN | disclosed |
| CN-1388124-A | Process for producing 2-alkyl-4-isothiazoline-3-one | KEMEKORIYA KK (JP) | 2003-01-01 | — | — | CN | disclosed |
| CN-1056838-C | 3-isothiazolone biocide process | ROHM & HAAS (US) | 2000-09-27 | — | — | CN | disclosed |
| CN-1034807-C | Bromate as inhibitor of nitrosamine formation for nitrate stabilized isothiazolones and process | ROHM & HAAS (US) | 1997-05-07 | — | — | CN | disclosed |
| CN-1111625-A | 3-isothiazolone biocide process | ROHM & HAAS (US) | 1995-11-15 | — | — | CN | disclosed |
| CN-1071921-A | Be used for suppressing to be formed the bromate and the method for nitrosamine by nitrate stabilized isothiazolones | ROHM & HAAS (US) | 1993-05-12 | — | — | CN | disclosed |