SCHEMBL4598911

SCHEMBL4598911

O=C(c1ccccc1)C(F)C(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.52
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CES2 O00748 3/20 0.44
LMNA P02545 1/20 0.44
PTPN1 P18031 2/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MLYCD O95822 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL1548851 0.83 TDP1 (0.56) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL27654153 0.82 CES1 (0.54) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL6314721 0.81 CES2 (0.43) CES1TDP1CES2LMNAALDH1A1
SCHEMBL11312282 0.80 CES1 (0.40) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL10767862 0.79 TDP1 (0.52) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL3648188 0.78 CES1 (0.50) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL27769230 0.78 ATM (0.51) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL11510826 0.78 CES1 (0.55) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL31385094 0.78 CES1 (0.50) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL4094460 0.78 CYP2C9 (0.42) CES1CES2LMNAALDH1A1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108085490-A The method of extracts composition and enriching lithium 青海恒信融锂业科技有限公司 2018-05-29 CN claimed
CN-110800150-A Non-aqueous electrolyte and electrolytic solution containing electrolyte stabilizing material, secondary battery containing the same, and use thereof 株式会社村田制作所 2020-02-14 CN disclosed
CN-108085490-A The method of extracts composition and enriching lithium 青海恒信融锂业科技有限公司 2018-05-29 CN disclosed
CN-108085490-A The method of extracts composition and enriching lithium 青海恒信融锂业科技有限公司 2018-05-29 CN disclosed
WO-2008067032-A2 TRANSGENIC MICE EXPRESSING A REAL-TIME REPORTER FOR CELLULAR CAMP IN A TISSUE-SELECTIVE AND INDUCIBLE MANNER UNIVERSITY OF MIAMI (US) 2008-06-05 WO disclosed
EP-1907850-A2 LATERAL FLOW ASSAY AND DEVICE USING MAGNETIC PARTICLES IDEXX LABORATORIES, INC. (US) 2008-04-09 EP disclosed
EP-1791972-A2 cAMP REPORTERS The Johns Hopkins University (US) 2007-06-06 EP disclosed
WO-2007050734-A1 PROTEIN KINASE A REPORTERS USEFUL IN HIGH THROUGHPUT ASSAYS THE JOHNS HOPKINS UNIVERSITY (US) 2007-05-03 WO disclosed
WO-2007011936-A2 LATERAL FLOW ASSAY AND DEVICE USING MAGNETIC PARTICLES IDEXX LABORATORIES, INC. (US) 2007-01-25 WO disclosed
WO-2006023972-A2 cAMP REPORTERS THE JOHNS HOPKINS UNIVERSITY (US) 2006-03-02 WO disclosed