⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13116715 | 0.80 | — | — | |
| SCHEMBL4474869 | 0.73 | GNAI3 (0.30) | — | |
| SCHEMBL4474871 | 0.73 | GNAI3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL4476786 | 0.72 | GNAI3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4476787 | 0.72 | GNAI3 (0.33) | — | |
| SCHEMBL19437168 | 0.68 | — | — | |
| SCHEMBL12505928 | 0.66 | — | — | |
| SCHEMBL9444168 | 0.63 | CHRM1 (0.56) | — | |
| SCHEMBL17645614 | 0.63 | — | — | |
| SCHEMBL17661754 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103002740-B | Pesticidal combination | 先正达参股股份有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-103002731-B | Pesticidal combination | SYNGENTA PARTICIPATIONS AG (CH) | 2015-12-02 | — | — | CN | disclosed |
| CN-103002739-B | Methods for controlling neonicotinoid resistant hemiptera | SYNGENTA PARTICIPATIONS AG (CH) | 2015-09-09 | — | — | CN | disclosed |