SCHEMBL5403445

SCHEMBL5403445

CCCc1ccc([I+]c2ccc(CCC)cc2)cc1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
RORC P51449 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KIF11 P52732 2/20 0.37
CA1 P00915 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL5412289 0.89 CA2 (0.42) CA2BCHEACHERORCKMT2A
SCHEMBL5408487 0.89 BCHE (0.43) CA2BCHEACHERORCKMT2A
SCHEMBL5400054 0.86 TRPV1 (0.44) CA2RORCKMT2ALMNAHTT
SCHEMBL1804286 0.85 KIF11 (0.47) CA2BCHEACHEKMT2AMEN1
SCHEMBL5416270 0.84 CA2 (0.47) CA2BCHEACHETAAR1KMT2A
SCHEMBL5412549 0.82 CA1 (0.38) CA2BCHEACHEKMT2ALMNA
SCHEMBL548081 0.81 ALDH1A1 (0.49) CA2BCHEACHEKMT2ALMNA
Toliodium SCHEMBL2902858 0.81 ALDH1A1 (0.49) CA2BCHEACHEKMT2ALMNA
SCHEMBL503480 0.81 ALDH1A1 (0.44) CA2ACHEKMT2ALMNAMEN1
SCHEMBL2964585 0.80 CA2 (0.48) CA2LMNAHTTALDH1A1CA1

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
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed
EP-1406123-A1 RESIST COMPOSITIONS Wako Pure Chemical Industries, Ltd. (JP) 2004-04-07 EP disclosed