⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9405314 | 0.81 | — | — | |
| SCHEMBL125808 | 0.80 | — | — | |
| SCHEMBL28823934 | 0.79 | — | — | |
| SCHEMBL5063145 | 0.79 | TSHR (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL9515995 | 0.78 | TSHR (0.57) | — | |
| SCHEMBL7836679 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL30288135 | 0.78 | TSHR (0.57) | — | |
| Hydrochloric Acid SCHEMBL30807127 | 0.78 | TSHR (0.57) | — | |
| SCHEMBL13167911 | 0.78 | — | — | |
| SCHEMBL16019027 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1284970-A2 | ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2003-02-26 | — | — | EP | disclosed |
| WO-2001077090-A2 | ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-10-18 | — | — | WO | disclosed |