⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9381458 | 0.84 | — | — | |
| SCHEMBL12003183 | 0.74 | — | — | |
| SCHEMBL16673345 | 0.67 | — | — | |
| SCHEMBL1415609 | 0.61 | — | — | |
| SCHEMBL1343696 | 0.57 | KDM4E (0.34) | — | |
| SCHEMBL45941 | 0.57 | KDM4E (0.34) | — | |
| SCHEMBL1164553 | 0.57 | KDM4E (0.34) | — | |
| SCHEMBL6618 | 0.57 | — | — | |
| SCHEMBL2420016 | 0.55 | — | — | |
| SCHEMBL10710808 | 0.55 | — | — |
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-3010346-B1 | SUSPENSION CONCENTRATE COMPOSITION COMPRISING ISOTHIAZOLINE INSECTICIDE AND ACTIVATED CHARCOAL | BASF SE (DE) | 2018-06-06 | — | — | EP | claimed |
| EP-0409413-B1 | Diaryl ether heterocycles | ICI PLC (GB) | 1994-08-03 | — | — | EP | claimed |
| EP-0234045-B1 | A PYRAZOLE OXIME DERIVATIVE AND ITS PRODUCTION AND USE | NIHON NOHYAKU CO., LTD. (JP) | 1992-09-02 | — | — | EP | claimed |