Bromide

Bromide

SCHEMBL5087703

CCCC[P+](CCCC)(CCCC)c1ccccc1.[Br-]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PCSK9 Q8NBP7 1/20 0.36
LTA4H P09960 1/20 0.36
DNM1 Q05193 2/20 0.36
CSNK1E P49674 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
Iodide SCHEMBL5092672 0.95 HIF1A (0.42) HIF1ACNR2ALDH1A1MAPK1MEN1
Hydrochloric Acid SCHEMBL5091573 0.95 HIF1A (0.42) HIF1ACNR2ALDH1A1MAPK1MEN1
Bromide SCHEMBL5087698 0.93 BDKRB2 (0.41) HIF1ACNR2PCSK9LTA4HDNM1
Bromide SCHEMBL5859727 0.91 DNM1 (0.43) HIF1AALDH1A1MAPK1MEN1KMT2A
Bromide SCHEMBL5091727 0.91 DNM1 (0.43) HIF1AALDH1A1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL5085116 0.89 BDKRB2 (0.41) HIF1ACNR2ALDH1A1MAPK1MEN1
Iodide SCHEMBL5091883 0.89 HIF1A (0.41) HIF1ACNR2MAPK1MEN1KMT2A
Water SCHEMBL4392333 0.87 CSNK1E (0.41) HIF1AALDH1A1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL5088545 0.87 MEN1 (0.42) HIF1AMAPK1MEN1KMT2ASMN1; SMN2
Iodide SCHEMBL5086690 0.87 CSNK1E (0.41) HIF1AALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771019-B Catalyst system for oxidizing para-xylene and/or meta-xylene to the corresponding carboxylic acid 沙特基础工业全球技术有限公司 2023-07-07 CN claimed
CN-112771019-A Catalyst system for oxidation of p-xylene and/or m-xylene to the corresponding carboxylic acids 沙特基础工业全球技术有限公司 2021-05-07 CN claimed
WO-2015166507-A1 A PROCESS FOR PRODUCING AROMATIC DICARBOXYLIC ACIDS RELIANCE INDUSTRIES LIMITED (IN) 2015-11-05 WO claimed
CN-1068867-C Preparation of 2,3,4,5-tetrafluorobenzoic acid HUADONG SCIENCE & ENGINEERING (CN) 2001-07-25 CN claimed
CN-1201779-A Preparation of 2,3,4,5-tetrafluorobenzoic acid HUADONG SCIENCE & ENGINEERING (CN) 1998-12-16 CN claimed
CN-112771019-B Catalyst system for oxidizing para-xylene and/or meta-xylene to the corresponding carboxylic acid 沙特基础工业全球技术有限公司 2023-07-07 CN disclosed
EP-3592725-B1 METHOD OF MAKING ACRYLIC ACID FROM LACTIC ACID OR LACTIDE USING MOLTEN SALT CATALYSTS PROCTER & GAMBLE (US) 2021-06-30 EP disclosed
CN-112771019-A Catalyst system for oxidation of p-xylene and/or m-xylene to the corresponding carboxylic acids 沙特基础工业全球技术有限公司 2021-05-07 CN disclosed
CN-110392676-A Acrylic acid is prepared by lactic acid or lactide using melting salt catalyst 宝洁公司 2019-10-29 CN disclosed
US-10301247-B2 Methods of making acrylic acid from lactic acid using molten salt catalysts THE PROCTER & GAMBLE COMPANY (US) 2019-05-28 US disclosed
CN-109320718-A A kind of high barrier transparent flexible display material and preparation method thereof 中国科学院长春应用化学研究所 2019-02-12 CN disclosed
EP-2997114-B1 IONIC LIQUID COMPOSITION RELIANCE INDUSTRIES LTD (IN) 2018-10-17 EP disclosed
EP-0041683-B1 TEST MEANS FOR THE DETECTION OF COUPLING COMPOUNDS, AND A METHOD FOR ITS PREPARATION BEHRINGWERKE Aktiengesellschaft (DE) 1984-10-10 EP disclosed
EP-0117556-A2 Heat-resisting aromatic polyestersulfone and process for preparing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-09-05 EP disclosed
US-4382062-A DIAZONIUM AND PHOSPHONIUM SALTS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1983-05-03 US disclosed
US-4323698-A COORDINATION COMPOUNDS OF ION EXCHANGE RESINS MOBIL OIL CORPORATION (US) 1982-04-06 US disclosed
EP-0041683-A1 Test means for the detection of coupling compounds, and a method for its preparation BEHRINGWERKE Aktiengesellschaft (DE) 1981-12-16 EP disclosed
US-4211880-A PALLADIUM, OXIDATION OF ETHYLENE TO FORM VINYL ACETATE MOBIL OIL CORPORATION (US) 1980-07-08 US disclosed
US-4145486-A Insoluble weak base exchange resin-metal compound complex MOBIL OIL CORPORATION (US) 1979-03-20 US disclosed
US-4111856-A INSOLUBLE RESIN-METAL COMPOUND COMPLEX PREPARED BY CONTACTING WEAK BASE ION EXCHANGE RESIN WITH SOLUTION OF METAL-LIGAND MOBIL OIL CORPORATION (US) 1978-09-05 US disclosed