⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577719 | 1.00 | — | — | |
| SCHEMBL2539223 | 0.93 | — | — | |
| SCHEMBL2534646 | 0.91 | — | — | |
| SCHEMBL17500585 | 0.87 | — | — | |
| SCHEMBL385699 | 0.87 | — | — | |
| SCHEMBL2533242 | 0.85 | — | — | |
| SCHEMBL2533151 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL13890649 | 0.78 | — | — | |
| SCHEMBL2540312 | 0.78 | — | — | |
| SCHEMBL2116485 | 0.75 | — | — |
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-20190110476-A1 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-04-18 | — | — | US | disclosed |
| EP-3236752-A2 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016102435-A2 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-06-30 | — | — | WO | disclosed |