SCHEMBL1613627

SCHEMBL1613627

O=C(O)c1c(Br)c(Br)c(Br)c(C(=O)O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
CYP1A2 P05177 1/20 0.43
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
BRCA1 P38398 1/20 0.34
STAT6 P42226 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34
CA1 P00915 2/20 0.33

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
SCHEMBL588970 0.97 CYP1A2 (0.45) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL9419232 0.93 CYP1A2 (0.43) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL7529954 0.93 CYP1A2 (0.40) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL1035933 0.93 CYP1A2 (0.47) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL35828 0.90 CYP1A2 (0.45) F2PRSS1PRSS2PRSS3CYP1A2
Hydrochloric Acid SCHEMBL11258021 0.90 CYP1A2 (0.45) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL29514787 0.90 CYP1A2 (0.45) F2PRSS1PRSS2PRSS3CYP1A2
Hydrochloric Acid SCHEMBL11052779 0.90 CYP1A2 (0.38) F2PRSS1PRSS2PRSS3CYP1A2
Ammonia Solution, Strong SCHEMBL11581673 0.87 F2 (0.43) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL11014460 0.87 F2 (0.43) F2PRSS1PRSS2PRSS3CYP1A2

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006063266-A2 ADDITIVE AND VEHICLE FOR INKS, PAINTS, COATINGS AND ADHESIVES OMNITECH ENVIRONMENTAL, LLC (US) 2006-06-15 WO claimed
US-20060128831-A1 Additive and vehicle for inks, paints, coatings and adhesives OMNITECH ENVIRONMENTAL, LLC 2006-06-15 US claimed
US-6610813-B2 Low number of hydrogen-carbon bonds; for example polyester derived from 2,3,5,6-tetrachloro-p-xylylene glycol and chlorendic acid; use as waveguide core and/or cladding material in optical fibers and optical devices CORNING INCORPORATED 2003-08-26 US claimed
US-20030013833-A1 Highly-halogenated low optical loss polymer HORN KEITH A (US) 2003-01-16 US claimed
US-6470131-B1 A POLYESTER, POLYLACTONE OR POLYCARBONATE HAVING LESS THAN 50 HYDROGEN-CARBON BONDS PER 1000 MOLECULAR WEIGHT UNITS USED AS WAVEGUIDE CORE MATERIAL AND/OR A WAVEGUIDE CLADDING MATERIAL IN OPTICAL FIBERS AND/OR PLANAR OPTICAL DEVICES. CORNING INCORPORATED 2002-10-22 US claimed
US-6420511-B1 SEPARATION AND PURIFICATION OF POLYESTERS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-07-16 US claimed
WO-2002036659-A2 HIGHLY-HALOGENATED LOW OPTICAL LOSS POLYESTER CORNING INCORPORATED (US) 2002-05-10 WO claimed
US-5208366-A Catalytic esterification of of aromatic acids or anhydrides containing halogen ELF ATOCHEM NORTH AMERICA, INC. (US) 1993-05-04 US claimed
EP-0334951-A4 HIGH YIELD METHOD FOR PREPARATION OF DIALKYL ESTERS OF POLYHALOAROMATIC ACIDS 1991-03-13 EP claimed
EP-0334951-A1 HIGH YIELD METHOD FOR PREPARATION OF DIALKYL ESTERS OF POLYHALOAROMATIC ACIDS PENNWALT CORPORATION (US) 1989-10-04 EP claimed
WO-1989002887-A2 HIGH YIELD METHOD FOR PREPARATION OF DIALKYL ESTERS OF POLYHALOAROMATIC ACIDS PENNWALT CORPORATION (US) 1989-04-06 WO claimed
US-4042571-A Fire-retardant polyamides from naphthalene dicarboxylic reactant and halogenated carboxylic reactant TEIJIN LIMITED (JA) 1977-08-16 US claimed
CN-113646954-B Intumescent coating composition PPG工业俄亥俄公司 2023-08-15 CN disclosed
US-20230183496-A1 INTUMESCENT COATINGS PPG INDUSTRIES OHIO, INC. (US) 2023-06-15 US disclosed
EP-3658629-B1 FAST CURING INTUMESCENT COATING COMPOSITIONS PPG COATINGS EUROPE BV (NL) 2023-03-22 EP disclosed
EP-4143265-A1 INTUMESCENT COATINGS PPG Industries Ohio, Inc. (US) 2023-03-08 EP disclosed
EP-0334951-A1 HIGH YIELD METHOD FOR PREPARATION OF DIALKYL ESTERS OF POLYHALOAROMATIC ACIDS PENNWALT CORPORATION (US) 1989-10-04 EP disclosed
EP-0244823-A2 Resin composition for use in powder paint DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-11-11 EP disclosed
US-4053510-A REACTING A DICARBOXYLIC ACID WITH UREA IN CHLOROSULFONIC ACID OR OLEUM AKZO N.V. (NL) 1977-10-11 US disclosed
US-4042571-A Fire-retardant polyamides from naphthalene dicarboxylic reactant and halogenated carboxylic reactant TEIJIN LIMITED (JA) 1977-08-16 US disclosed