⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21317609 | 0.97 | CALM1 (0.53) | — | |
| (Chloromethyl)Benzene SCHEMBL4746769 | 0.97 | CALM1 (0.53) | — | |
| (Chloromethyl)Benzene SCHEMBL29919724 | 0.97 | — | — | |
| (Chloromethyl)Benzene SCHEMBL7413 | 0.97 | — | — | |
| (Chloromethyl)Benzene SCHEMBL6422666 | 0.97 | CALM1 (0.53) | — | |
| (Chloromethyl)Benzene SCHEMBL29794364 | 0.97 | — | — | |
| (Chloromethyl)Benzene SCHEMBL1331085 | 0.97 | — | — | |
| (Chloromethyl)Benzene SCHEMBL1616642 | 0.97 | — | — | |
| (Chloromethyl)Benzene SCHEMBL142740 | 0.93 | — | — | |
| (Chloromethyl)Benzene SCHEMBL712801 | 0.93 | CALM1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2334669-B1 | HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS | BAYER IP GMBH (DE) | 2015-12-23 | — | — | EP | disclosed |
| EP-2334669-A1 | HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS | Bayer CropScience AG (DE) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010037479-A1 | HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AG (DE) | 2010-04-08 | — | — | WO | disclosed |