SCHEMBL22032022

SCHEMBL22032022

CCCCC(N)(CCCC)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
SMPD1 P17405 2/20 0.32
CES2 O00748 2/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
FAAH O00519 8/20 0.31
CES1 P23141 6/20 0.30
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19520151 0.85 FDPS (0.39) FDPSSMPD1CES2LPAR1LPAR3
SCHEMBL18125215 0.85 FDPS (0.39) FDPSSMPD1CES2LPAR1LPAR3
SCHEMBL8998623 0.84 FDPS (0.37) FDPSSMPD1CES2LPAR1LPAR3
Hydrochloric Acid SCHEMBL18109540 0.84 FDPS (0.38) FDPSSMPD1CES2LPAR1LPAR3
Hydrochloric Acid SCHEMBL18109541 0.84 FDPS (0.38) FDPSSMPD1CES2LPAR1LPAR3
SCHEMBL323277 0.82 FDPS (0.46) FDPSSMPD1TSHRLMNATHRB
SCHEMBL31531222 0.77 FDPS (0.46) FDPSSMPD1TSHRTHRBMEN1
SCHEMBL6790923 0.77 FDPS (0.42) FDPSSMPD1TSHRLMNATHRB
SCHEMBL1665210 0.77 FDPS (0.42) FDPSSMPD1CES2LPAR1LPAR3
SCHEMBL11032152 0.73 FDPS (0.48) FDPSSMPD1TSHRTHRBMEN1

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
CN-115504869-A Preparation method of fluorine-containing vinyl ether 中蓝晨光化工研究设计院有限公司 2022-12-23 CN claimed
CN-115504869-A Preparation method of fluorine-containing vinyl ether 中蓝晨光化工研究设计院有限公司 2022-12-23 CN disclosed
WO-2020114970-A1 FLUOROPOLYMER HAVING ALICYCLIC REPEATING UNITS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2020-06-11 WO disclosed