SCHEMBL3371689

SCHEMBL3371689

CC(C(=O)O)(C(Br)(Br)Br)C(Br)(Br)Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
BLM P54132 1/20 0.32
TP53 P04637 1/20 0.32
GRM2 Q14416 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL707741 0.74
SCHEMBL138469 0.74
Hydrochloric Acid SCHEMBL10470923 0.72
SCHEMBL847022 0.72 TSHR (0.50) TSHRALDH1A1CYP2C19CYP2D6HIF1A
Ethane SCHEMBL4575320 0.72
Bromide SCHEMBL258976 0.72
SCHEMBL11018178 0.72
SCHEMBL28462729 0.72 TSHR (0.50) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL1292273 0.72
SCHEMBL16432395 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product ASAHI KASEI KABUSHIKI KAISHA (JP) 2026-03-17 US disclosed
US-20230135772-A1 CARBODIIMIDE COMPOSITION, CURING AGENT COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
EP-4130154-A1 CARBODIIMIDE COMPOSITION, HARDENER COMPOSITION, COATING COMPOSITION, AND CURED RESIN OBJECT Asahi Kasei Kabushiki Kaisha (JP) 2023-02-08 EP disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US 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
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
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
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 (5 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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A TSHR 2444/4885ALDH1A1 261/4885CYP2C19 388/4885
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 TSHR 1685/4885ALDH1A1 1190/4885CYP2C19 994/4885
US-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product CD38, PARP9, MCCC2 TSHR 4705/4885ALDH1A1 737/4885CYP2C19 994/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A TSHR 2452/4885ALDH1A1 252/4885CYP2C19 333/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA TSHR 3574/4885ALDH1A1 2676/4885CYP2C19 2776/4885

“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.