SCHEMBL7704994

SCHEMBL7704994

CC(Cl)C(=O)OCC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
ELANE P08246 1/20 0.31
FABP7 O15540 1/20 0.31
CAPN1 P07384 1/20 0.31

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
SCHEMBL3680080 0.81 HTT (0.34) HTTALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL8058209 0.81 HTT (0.62) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL805296 0.81 HTT (0.62) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL28371570 0.81 HTT (0.62) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL17982679 0.79 HTT (0.67) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL4869174 0.79 GRIN2D (0.36) HTTKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL27899015 0.78 SLC13A3 (0.36) HTT
SCHEMBL107708 0.77 HTT (0.58) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL16160719 0.77 HTT (0.58) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL13610603 0.77 HTT (0.58) HTTMEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103044245-A Method for preparing 2-fluoropropionate JUHUA GROUP TECHNOLOGY CT 2013-04-17 CN claimed
CN-105037150-B A kind of synthetic method of 2 fluorine propionic ester 巨化集团技术中心 2017-11-21 CN disclosed
CN-103044245-B Method for preparing 2-fluoropropionate JUHUA GROUP TECHNOLOGY CT 2015-06-24 CN disclosed
CN-103044245-A Method for preparing 2-fluoropropionate JUHUA GROUP TECHNOLOGY CT 2013-04-17 CN disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 EP disclosed
US-5968874-A DEFOLIATION OR DESSICATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed