⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3636485 | 0.87 | — | — | |
| SCHEMBL4614450 | 0.79 | — | — | |
| SCHEMBL17090752 | 0.79 | — | — | |
| SCHEMBL27492809 | 0.78 | SIGMAR1 (0.33) | — | |
| SCHEMBL3409261 | 0.77 | — | — | |
| SCHEMBL6566579 | 0.75 | — | — | |
| SCHEMBL1920225 | 0.75 | — | — | |
| SCHEMBL954512 | 0.75 | — | — | |
| SCHEMBL1435797 | 0.75 | — | — | |
| SCHEMBL42926 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697311-B1 | NITRILE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL CO (JP) | 2011-10-26 | — | — | EP | disclosed |
| US-7662402-B2 | contains fluoroalkyl group; insecticides, miticides, nematocides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-02-16 | — | — | US | disclosed |
| CN-100390140-C | Nitrile compounds and their use in pest control | SUMITOMO CHEMICAL CO (JP) | 2008-05-28 | — | — | CN | disclosed |
| US-20070112068-A1 | Nitrile compound and its use in pest control | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-17 | — | — | US | disclosed |
| CN-1898200-A | Nitrile compound and its pest control use | SUMITOMO CHEMICAL CO (JP) | 2007-01-17 | — | — | CN | disclosed |
| EP-1697311-A1 | NITRILE COMPOUND AND ITS USE IN PEST CONTROL | Sumitomo Chemical Company, Limited (JP) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005063694-A1 | NITRILE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-07-14 | — | — | WO | disclosed |
| US-20030096379-A1 | Method for producing tryptamine derivatives | BIOCATALYTICS, INC. | 2003-05-22 | — | — | US | disclosed |
| WO-2002079153-A1 | METHOD FOR PRODUCING TRYPTAMINE DERIVATIVES | BIOCATALYTICS, INC. (US) | 2002-10-10 | — | — | WO | disclosed |
| US-6207862-B1 | PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, | BIOCATALYTICS, INC. | 2001-03-27 | — | — | US | disclosed |
| WO-1999032649-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1999-07-01 | — | — | WO | disclosed |
| US-5916786-A | Method for the production of chiral 1,3-aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-06-29 | — | — | US | disclosed |