⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9412280 | 0.85 | POLB (0.32) | — | |
| SCHEMBL6833252 | 0.81 | RECQL (0.33) | — | |
| SCHEMBL8996678 | 0.80 | TP53 (0.32) | — | |
| SCHEMBL8996646 | 0.78 | — | — | |
| SCHEMBL8945779 | 0.74 | CDK1 (0.32) | — | |
| SCHEMBL9412189 | 0.73 | MAPK8 (0.30) | — | |
| SCHEMBL8945455 | 0.72 | — | — | |
| SCHEMBL8996607 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL8945820 | 0.72 | HTT (0.39) | — | |
| SCHEMBL5941009 | 0.70 | GRIA2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5484934-A | FUNGICIDE, WOOD PRESERVATIVE | NIHON NOHYAKU CO., LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0604978-A1 | Isothiazole derivatives, a process for production thereof and uses thereof | NIHON NOHYAKU CO., LTD. (JP) | 1994-07-06 | — | — | EP | disclosed |
| EP-0578246-A1 | Isothiazole derivatives and processes for preparing the same as well as termite controlling agents comprising the same as active ingredient | NIHON NOHYAKU CO., LTD. (JP) | 1994-01-12 | — | — | EP | disclosed |