SCHEMBL1538085

SCHEMBL1538085

O=C(O)c1ccc(C(=O)O)c(OC(F)(F)CF)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLA2G2D Q9UNK4 2/20 0.39
TSHR P16473 4/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29940464 0.83 PYGL (0.49) CA12CA1CA2CA4CA6
SCHEMBL708079 0.83 PYGL (0.49) CA12CA1CA2CA4CA6
SCHEMBL7349417 0.81 RAB9A (0.57) CA12CA1CA2CA4CA6
SCHEMBL5744920 0.79 ALDH1A1 (0.49) CA12CA1CA2CA4CA6
SCHEMBL1496822 0.76 RXRA (0.55) CA12CA1CA2CA4CA6
SCHEMBL5928797 0.74 PTGER1 (0.60) RAB9AHTTLMNAMAPK1RXRA
SCHEMBL1440735 0.73 CA12 (0.36) CA12CA1CA2CA4CA6
SCHEMBL5828421 0.72 CA12 (0.52) CA12CA1CA2CA4CA6
Bicarbonate SCHEMBL10388415 0.72 CA1 (0.52) CA12CA1CA2CA4CA6
SCHEMBL1496817 0.72 NPSR1 (0.51) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473469-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. du Pont de Nemours and Company (US) 2012-07-11 EP disclosed
EP-2473471-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. du Pont de Nemours and Company (US) 2012-07-11 EP disclosed
EP-2473470-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. du Pont de Nemours and Company (US) 2012-07-11 EP disclosed
WO-2011028872-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 WO disclosed
WO-2011028866-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 WO disclosed
WO-2011028862-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 WO disclosed