⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8612466 | 1.00 | — | — | |
| SCHEMBL8924335 | 0.83 | — | — | |
| SCHEMBL2398157 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL10629094 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL11669117 | 0.78 | — | — | |
| SCHEMBL8660891 | 0.78 | — | — | |
| SCHEMBL8664977 | 0.78 | — | — | |
| SCHEMBL8664972 | 0.78 | — | — | |
| SCHEMBL8660887 | 0.78 | — | — | |
| SCHEMBL10631375 | 0.78 | PTGS1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643037-B1 | Ester compound, active agent for controlling noxious insect pests containing the same as active ingredient, intermediate for production of the ester compound, and process for producing the intermediate | SUMITOMO CHEMICAL CO (JP) | 1998-05-06 | — | — | EP | disclosed |
| US-5672779-A | INTERMEDIATE FOR PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-09-30 | — | — | US | disclosed |
| US-5550258-A | INSECTICIDES, MITICIDES, NEMATOCIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-08-27 | — | — | US | disclosed |
| EP-0643037-A1 | Ester compound, active agent for controlling noxious insect pests containing the same as active ingredient, intermediate for production of the ester compound, and process for producing the intermediate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-03-15 | — | — | EP | disclosed |