SCHEMBL3367210

SCHEMBL3367210

CCC(O)(C(=O)O)C(Br)(Br)Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
ACLY P53396 2/20 0.34
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
THRB P10828 1/20 0.32
FFAR3 O14843 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
TET2 Q6N021 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL22440902 0.83 ALDH1A1 (0.44) ALDH1A1TSHRACLYGRM2GRM3
SCHEMBL1197211 0.83 ALDH1A1 (0.44) ALDH1A1TSHRACLYGRM2GRM3
SCHEMBL1196173 0.83 ALDH1A1 (0.44) ALDH1A1TSHRACLYGRM2GRM3
SCHEMBL387177 0.83 ALDH1A1 (0.44) ALDH1A1TSHRACLYGRM2GRM3
SCHEMBL3367518 0.79 ALDH1A1 (0.38) ALDH1A1TSHRACLYKMT2AMEN1
Boric Acid SCHEMBL30679497 0.76 ALDH1A1 (0.38) ALDH1A1TSHRACLYKMT2AMEN1
SCHEMBL2545818 0.76 TSHR (0.45) ALDH1A1TSHRACLYKMT2AMEN1
Boric Acid SCHEMBL30679498 0.76 ALDH1A1 (0.38) ALDH1A1TSHRACLYKMT2AMEN1
SCHEMBL473141 0.76 TSHR (0.45) ALDH1A1TSHRACLYKMT2AMEN1
SCHEMBL11418482 0.76 TSHR (0.45) ALDH1A1TSHRACLYKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
CN-1854133-B Heterocycle-bearing onium salts WAKO PURE CHEM IND LTD 2010-11-10 CN disclosed
EP-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 EP disclosed
EP-1690685-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2009-04-15 EP disclosed
CN-100475803-C Heterocyclic onium salt WAKO PURE CHEM IND LTD (JP) 2009-04-08 CN disclosed
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 EP disclosed
EP-1953149-A2 A heterocycle-containing onium salt Wako Pure Chemical Industries, Ltd. (JP) 2008-08-06 EP disclosed
US-20080161520-A1 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-03 US disclosed
US-7318991-B2 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-15 US disclosed
CN-1854133-A Heterocycle-bearing onium salts WAKO PURE CHEM IND LTD (JP) 2006-11-01 CN disclosed
EP-1690685-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2006-08-16 EP disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 US disclosed
CN-1622943-A Heterocyclic onium salt WAKO PURE CHEM IND LTD (JP) 2005-06-01 CN disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether NOX4, CBR1, CBR3 ALDH1A1 1190/4885TSHR 1685/4885ACLY 3862/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA ALDH1A1 2676/4885TSHR 3574/4885ACLY 1489/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.