SCHEMBL28017183

SCHEMBL28017183

O=C(O)C(F)(F)Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
BLM P54132 1/20 0.38
MME P08473 1/20 0.37
TGM2 P21980 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SRD5A2 P31213 1/20 0.37

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
SCHEMBL28553221 0.82 CTBP2 (0.43) LMNASMN1; SMN2HIF1ABLMFFAR1
SCHEMBL5235928 0.81 SMN1; SMN2 (0.57) SMN1; SMN2HIF1ACES2CES1
SCHEMBL29009993 0.80 SRD5A2 (0.50) KMT2ARXRARXRBCES2CES1
SCHEMBL25224016 0.80 PPARG (0.45) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14955258 0.77 S1PR2 (0.48) KMT2ALMNAL3MBTL1BLM
SCHEMBL12492687 0.76 BLM (0.46) MEN1KMT2ALMNABLMMME
SCHEMBL5149405 0.76 BLM (0.46) MEN1KMT2ALMNARXRARXRB
SCHEMBL7810611 0.76 FDPS (0.47) SMN1; SMN2HIF1A
SCHEMBL27167976 0.75 LMNA (0.46) MEN1KMT2ALMNASMN1; SMN2CES2
SCHEMBL2175094 0.74 BLM (0.44) MEN1KMT2ALMNARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557512-B A kind of 3-(bromo phenyl)-2, the preparation method of 2 '-difluoro propionic acid SHANXI UNIVERISTY (CN) 2016-05-11 CN claimed
CN-104557512-A Preparation method of 3-(bromophenyl)-2,2'-difluoropropanoic acid UNIV SHANXI 2015-04-29 CN claimed
CN-104557512-B A kind of 3-(bromo phenyl)-2, the preparation method of 2 '-difluoro propionic acid SHANXI UNIVERISTY (CN) 2016-05-11 CN disclosed
CN-104557512-B A kind of 3-(bromo phenyl)-2, the preparation method of 2 '-difluoro propionic acid SHANXI UNIVERISTY (CN) 2016-05-11 CN disclosed
CN-104557512-A Preparation method of 3-(bromophenyl)-2,2'-difluoropropanoic acid UNIV SHANXI 2015-04-29 CN disclosed