SCHEMBL9861359

SCHEMBL9861359

CCCOc1c(F)c(F)c(C(=O)O)c(C(=O)O)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
GFER P55789 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
SCHEMBL9861929 0.89 ESR1 (0.46) ESR1TSHRTHRATHRB
SCHEMBL8464048 0.85 METAP2 (0.39) ESR1KMT2ASMN1; SMN2TSHRL3MBTL1
SCHEMBL5586791 0.84 ESR1 (0.41) ESR1KMT2ASMN1; SMN2TSHRL3MBTL1
SCHEMBL1583078 0.84 THRA (0.47) ESR1TSHRTHRATHRB
SCHEMBL9566694 0.81 GRIN2D (0.36) KMT2ASMN1; SMN2MAPTPKMMETAP2
SCHEMBL1583240 0.81 THRA (0.50) KMT2ATSHRTDP1MEN1THRA
SCHEMBL1583014 0.81 THRA (0.50) KMT2ATSHRTDP1MEN1THRA
SCHEMBL1582848 0.81 THRA (0.50) KMT2ATSHRTDP1MEN1THRA
SCHEMBL4779665 0.81 THRA (0.50) KMT2ATSHRTDP1MEN1THRA
SCHEMBL1582944 0.81 THRA (0.50) KMT2ATSHRTDP1MEN1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0271275-B1 TRIFLUOROHYDROXYAROMATIC ACID AND PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1991-11-27 EP claimed
US-4831190-A BACTERICIDE INTERMEDIATES UBE INDUSTRIES, LTD. (JP) 1989-05-16 US claimed
EP-0271275-A1 Trifluorohydroxyaromatic acid and preparation thereof UBE INDUSTRIES, LTD. (JP) 1988-06-15 EP claimed
CN-107880545-B Resin composition, method for producing cured product, and cured product 东京应化工业株式会社 2022-03-18 CN disclosed
CN-107429059-B Energy-sensitive resin composition 东京应化工业株式会社 2020-10-23 CN disclosed
EP-0271275-B1 TRIFLUOROHYDROXYAROMATIC ACID AND PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1991-11-27 EP disclosed
US-4831190-A BACTERICIDE INTERMEDIATES UBE INDUSTRIES, LTD. (JP) 1989-05-16 US disclosed
EP-0271275-A1 Trifluorohydroxyaromatic acid and preparation thereof UBE INDUSTRIES, LTD. (JP) 1988-06-15 EP disclosed