⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8945779 | 0.82 | CDK1 (0.32) | — | |
| SCHEMBL8945823 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL9412275 | 0.69 | POLB (0.31) | — | |
| SCHEMBL8996632 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL9412280 | 0.66 | POLB (0.32) | — | |
| SCHEMBL8996614 | 0.65 | — | — | |
| SCHEMBL9412179 | 0.61 | POLB (0.34) | — | |
| SCHEMBL6833252 | 0.60 | RECQL (0.33) | — | |
| SCHEMBL8996646 | 0.60 | — | — | |
| SCHEMBL8945442 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |