SCHEMBL5250314

SCHEMBL5250314

BrC(Br)c1cccc(C(Br)Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.42
PGK2 P07205 4/20 0.42
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TRPA1 O75762 1/20 0.36
DPP4 P27487 2/20 0.32
F2 P00734 1/20 0.32
TSHR P16473 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
SLC22A1 O15245 1/20 0.31
OPRM1 P35372 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MDM4 O15151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 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
SCHEMBL1539023 0.87 TSHR (0.48) PGK1PGK2CES2CES1TRPA1
SCHEMBL642404 0.83 IDO1 (0.48) IDO1TDO2ALDH1A1CYP3A4TDP1
SCHEMBL384041 0.81 ACP3 (0.46) TSHROPRM1ALDH1A1
SCHEMBL7305650 0.81 PGK1 (0.35) PGK1PGK2CES2CES1TRPA1
SCHEMBL723341 0.81 HDAC4 (0.47) CES2CES1IDO1TDO2HDAC4
SCHEMBL321883 0.81 ACHE (0.52) ALDH1A1TP53CYP3A4MAPTHTT
SCHEMBL8723723 0.81 PGK1 (0.31) PGK1PGK2CES2CES1TRPA1
SCHEMBL7305656 0.81 LMNA (0.52) TSHRSLC22A1OPRM1KDM4EALDH1A1
SCHEMBL20902925 0.81 PGK1 (0.31) PGK1PGK2CES2CES1TRPA1
SCHEMBL28420 0.81 SLC6A3 (0.37) PGK1PGK2CES2CES1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4675355-A REACTIVE AMINE-CONTAINING NITROSO COMPOUND AND AN HALOGENATED ALKYLBENZENE TO IMPROVE GREEN STRENGTH; TIRES BRIDGESTONE CORPORATION (JP) 1987-06-23 US claimed
US-4442202-A SILVER HALIDE, REDOX SYSTEM, ORGANOBROMINE COMPOUND, STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-04-10 US claimed
US-4332889-A IMPROVED SENSITIVITY, STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-06-01 US claimed
US-10190226-B2 Reaction products of heterocyclic nitrogen compounds polyepoxides and polyhalogens ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2019-01-29 US disclosed
US-10190226-B2 Reaction products of heterocyclic nitrogen compounds polyepoxides and polyhalogens ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2019-01-29 US disclosed
EP-2933282-B1 REACTION PRODUCTS OF HETEROCYCLIC NITROGEN COMPOUNDS, POLYEPOXIDES AND POLYHALOGENS ROHM & HAAS ELECT MAT (US) 2017-03-08 EP disclosed
EP-2933282-B1 REACTION PRODUCTS OF HETEROCYCLIC NITROGEN COMPOUNDS, POLYEPOXIDES AND POLYHALOGENS ROHM & HAAS ELECT MAT (US) 2017-03-08 EP disclosed
US-20160319447-A1 REACTION PRODUCTS OF HETEROCYCLIC NITROGEN COMPOUNDS POLYEPOXIDES AND POLYHALOGENS ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2016-11-03 US disclosed
US-20160319447-A1 REACTION PRODUCTS OF HETEROCYCLIC NITROGEN COMPOUNDS POLYEPOXIDES AND POLYHALOGENS ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2016-11-03 US disclosed
US-20160319447-A1 REACTION PRODUCTS OF HETEROCYCLIC NITROGEN COMPOUNDS POLYEPOXIDES AND POLYHALOGENS ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2016-11-03 US disclosed
US-9439294-B2 Reaction products of heterocyclic nitrogen compounds polyepoxides and polyhalogens ROHM AND HAAS ELECTRONIC MATERIALS LLC 2016-09-06 US disclosed
US-4396712-A ORGANIC SILVER SALT OXIDIZER, REDUCING AGENT, SILVER HALIDE OR SILVER HALIDE FORMER, TONER, BINDER, HYDROXYPHENYLBENZOTRIAZOLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-08-02 US disclosed
US-4332889-A IMPROVED SENSITIVITY, STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-06-01 US disclosed
US-4288607-A USEFUL IN UNSATURATED POLYESTERS AND AS FIRE RETARDANTS DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed
US-4212996-A USING AN IRON OR ALUMINUM MASKING (COMPLEXING) AGENT CONTAINING AMINOACETIC ACID GROUPS DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1980-07-15 US disclosed
US-4152511-A FIRE-RETARDANT MOLDING MATERIALS CONTAINING CHLORINE OR BROMINE DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1979-05-01 US disclosed
US-4119612-A Polymeric and oligomeric formals DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1978-10-10 US disclosed
US-4107104-A TETRABROMOXYLENEDIOL - FLAME-RETARDANT FOR POLYURETHANES ETHYL CORPORATION (US) 1978-08-15 US disclosed
US-4013817-A HALOGENATED AROMATIC HYDROCARBON BRIDGESTONE TIRE COMPANY LIMITED (JA) 1977-03-22 US disclosed
US-3947494-A HEAVY METAL CATALYST, OXIDATION OF XYLENES STANDARD OIL COMPANY (US) 1976-03-30 US disclosed