⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1792609 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL15638856 | 0.67 | — | — | |
| SCHEMBL5151760 | 0.63 | — | — | |
| SCHEMBL1015253 | 0.63 | — | — | |
| SCHEMBL11331864 | 0.58 | — | — | |
| SCHEMBL37286 | 0.57 | — | — | |
| SCHEMBL2142954 | 0.54 | — | — | |
| SCHEMBL5380039 | 0.52 | — | — | |
| SCHEMBL7402413 | 0.51 | — | — | |
| SCHEMBL7858161 | 0.51 | — | — |
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-5578622-A | FUNGICIDE OR BACTERICIDE FOR USE IN INDUSTRY, AGRICULTURE AND MEDICINE | ASAMURA PATENT OFFICE (JP) | 1996-11-26 | — | — | US | disclosed |
| EP-0697409-A1 | Isothiazole derivatives containing (an) iodoalkylnyl group(s), their preparation and their use as fungicide and/or bactericide | NIHON NOHYAKU CO., LTD. (JP) | 1996-02-21 | — | — | EP | disclosed |