SCHEMBL7043259

SCHEMBL7043259

CC(CCCCBr)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.32
TRPV1 Q8NER1 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL17870840 0.81 TP53 (0.45) TP53TRPV1TRPA1
SCHEMBL3903023 0.81 TP53 (0.35) TP53
SCHEMBL9166850 0.79 TP53 (0.43) TP53TSHRTRPV1TRPA1
SCHEMBL692235 0.79 TP53 (0.65) TP53
SCHEMBL16370393 0.78 TP53 (0.41) TP53
SCHEMBL8677764 0.77 TP53 (0.63) TP53
SCHEMBL10891420 0.77 TP53 (0.63) TP53
SCHEMBL2052450 0.77 TP53 (0.63) TP53
SCHEMBL2053835 0.77 TP53 (0.63) TP53
SCHEMBL8971518 0.77 TP53 (0.63) TP53

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed