SCHEMBL5409943

SCHEMBL5409943

CC(C)c1ccc([I+]c2ccc(C(C)C)cc2)cc1.O=S(=O)([O-])c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
GRIA4 P48058 1/20 0.39
PGR P06401 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
MAP2K4 P45985 1/20 0.36
GBA1 P04062 1/20 0.36
HTR2A P28223 2/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HTR2C P28335 2/20 0.35
CNR2 P34972 1/20 0.35
HTR2B P41595 1/20 0.35
KAT6A Q92794 1/20 0.34

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
Toliodium SCHEMBL5401599 0.84 HCRTR2 (0.41) ALDH1A1GAAHTR2AHTR2CHTR2B
SCHEMBL5408475 0.84 LMNA (0.43) ALDH1A1GAAMCOLN3HTR2AHTR6
SCHEMBL5398479 0.83 NPSR1 (0.43) ALDH1A1GAACNR2LMNAMAPT
SCHEMBL5419133 0.82 PGR (0.41) ALDH1A1GAAPGRGBA1HTR2A
SCHEMBL5403682 0.81 CA2 (0.39) ALDH1A1GAAGRIA4HTR2AHTR6
SCHEMBL5412394 0.81 CA1 (0.39) ALDH1A1HTR2AHTR2CCNR2LMNA
SCHEMBL5405401 0.80 KMT2A (0.50) ALDH1A1GAATSHRLMNAMAPT
SCHEMBL5413749 0.78 CA2 (0.42) ALDH1A1HTR2AHTR6HTR2CCNR2
SCHEMBL5403652 0.78 PSEN1 (0.36) ALDH1A1GAATSHRMCOLN3HTR6
SCHEMBL23202629 0.77 LMNA (0.47) PGRGBA1HTR2AHTR2CHTR2B

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