SCHEMBL8442017

SCHEMBL8442017

O=C(CBr)OCOC(=O)CBr

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.41
FAAH O00519 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1434603 0.83 CYP2C19 (0.64) TRPA1ALDH1A1CYP2C19L3MBTL1TSHR
SCHEMBL2025493 0.82
Ethyl Bromo Acetate SCHEMBL1332372 0.78
SCHEMBL20511453 0.78
SCHEMBL3283564 0.78 CYP2C19 (0.58) TRPA1ALDH1A1CYP2C19L3MBTL1TSHR
SCHEMBL1848803 0.78 CYP2C19 (0.58) TRPA1ALDH1A1CYP2C19L3MBTL1TSHR
SCHEMBL6105019 0.78
Ethyl Bromo Acetate SCHEMBL1332675 0.78
Ethyl Bromo Acetate SCHEMBL1332025 0.78
Ethyl Bromo Acetate SCHEMBL5658 0.78

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0615688-B1 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL WORKS CO (JP) 1997-11-12 EP claimed
EP-0615688-A1 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL, INC. (JP) 1994-09-21 EP claimed
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
EP-0571313-B1 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL WORKS CO (JP) 1999-03-03 EP disclosed
EP-0615688-B1 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL WORKS CO (JP) 1997-11-12 EP disclosed
US-5411990-A Dioxime derivative YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1995-05-02 US disclosed
US-5397804-A A-chlorobenzaldoxime, papermaking KATAYAMA CHEMICAL INCORPORATED (JP) 1995-03-14 US disclosed
EP-0615688-A1 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL, INC. (JP) 1994-09-21 EP disclosed
EP-0571313-A2 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL, INC. (JP) 1993-11-24 EP disclosed