SCHEMBL22129210

SCHEMBL22129210

CC(=O)OC(=O)c1c(F)c(F)c(C(=O)O)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA5 P08648 1/20 0.31
▸ GFER P55789 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
SCHEMBL6888914 0.91 TSHR (0.45) TSHRALDH1A1MAPK1ESR1HSD17B10
Mellitic Acid SCHEMBL27648413 0.81 ALDH1A1 (0.45) TSHRALDH1A1ESR1HSD17B10TDP1
SCHEMBL9720465 0.81 TSHR (0.36) TSHRALDH1A1MAPK1ESR1HSD17B10
SCHEMBL27871138 0.79 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10TDP1
Acetic Acid SCHEMBL22129209 0.78 FFAR3 (0.44) TSHRMAPK1MEN1KMT2ACRHBP
SCHEMBL16413472 0.77 KDM4E (0.32) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL27511609 0.77 TSHR (0.53) TSHRALDH1A1MAPK1ESR1MEN1
SCHEMBL29154303 0.76 TSHR (0.52) TSHRALDH1A1MAPK1ESR1MEN1
SCHEMBL10718130 0.76 KDM4E (0.40) TSHRALDH1A1MAPK1ESR1MEN1
Methyl Alcohol SCHEMBL28841421 0.75 MEN1 (0.41) TSHRMAPK1MEN1KMT2ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020124727-A1 SYNTHESIS METHOD FOR 2,3,5,6-TETRAFLUORO-4-METHOXYMETHYL BENZYL ALCOHOL 浙江中欣氟材股份有限公司 2020-06-25 — — WO disclosed
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