SCHEMBL17361069

SCHEMBL17361069

O=C(Br)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTT P42858 3/20 0.39
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
RECQL P46063 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
HDAC11 Q96DB2 1/20 0.30
MEN1 O00255 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
SCHEMBL661258 0.72 CES2 (0.46) CES2CES1HTTLMNATP53
SCHEMBL8175703 0.72 CES2 (0.68) CES2CES1HTTLMNATP53
SCHEMBL29449985 0.69 CES2 (0.43) CES2CES1HTTLMNATP53
SCHEMBL317184 0.69 CES2 (0.43) CES2CES1HTTLMNATP53
SCHEMBL217793 0.69 CES2 (0.43) CES2CES1HTTLMNATP53
SCHEMBL203915 0.69 CES2 (0.43) CES2CES1HTTLMNATP53
SCHEMBL336394 0.69 CES2 (0.43) CES2CES1HTTLMNATP53
SCHEMBL6448128 0.69 CES2 (0.43) CES2CES1HTTLMNATP53
SCHEMBL2219947 0.67 CES2 (0.42) CES2CES1HTTLMNATP53
SCHEMBL135076 0.67 CES2 (0.42) CES2CES1HTTLMNATP53

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9322269-B2 Use of long chain alcohols, ketones and organic acids as tracers BAKER HUGHES INCORPORATED (US) 2016-04-26 US claimed
US-9303497-B2 Use of long chain alcohols, ketones and organic acids as tracers BAKER HUGHES INCORPORATED (US) 2016-04-05 US claimed
US-9297252-B2 Use of long chain amines and difunctional compounds as tracers BAKER HUGHES INCORPORATED (US) 2016-03-29 US claimed
US-20150376997-A1 USE OF LONG CHAIN ALCOHOLS, KETONES AND ORGANIC ACIDS AS TRACERS BAKER HUGHES INCORPORATED (US) 2015-12-31 US claimed
US-20150377010-A1 USE OF LONG CHAIN AMINES AND DIFUNCTIONAL COMPOUNDS AS TRACERS BAKER HUGHES INCORPORATED (US) 2015-12-31 US claimed
US-20150377022-A1 USE OF LONG CHAIN ALCOHOLS, KETONES AND ORGANIC ACIDS AS TRACERS BAKER HUGHES INCORPORATED (US) 2015-12-31 US claimed
US-9322269-B2 Use of long chain alcohols, ketones and organic acids as tracers BAKER HUGHES INCORPORATED (US) 2016-04-26 US disclosed
US-9303497-B2 Use of long chain alcohols, ketones and organic acids as tracers BAKER HUGHES INCORPORATED (US) 2016-04-05 US disclosed
US-9297252-B2 Use of long chain amines and difunctional compounds as tracers BAKER HUGHES INCORPORATED (US) 2016-03-29 US disclosed
US-20150376997-A1 USE OF LONG CHAIN ALCOHOLS, KETONES AND ORGANIC ACIDS AS TRACERS BAKER HUGHES INCORPORATED (US) 2015-12-31 US disclosed
US-20150377010-A1 USE OF LONG CHAIN AMINES AND DIFUNCTIONAL COMPOUNDS AS TRACERS BAKER HUGHES INCORPORATED (US) 2015-12-31 US disclosed
US-20150377022-A1 USE OF LONG CHAIN ALCOHOLS, KETONES AND ORGANIC ACIDS AS TRACERS BAKER HUGHES INCORPORATED (US) 2015-12-31 US disclosed