SCHEMBL3959527

SCHEMBL3959527

C=Cc1ccccc1COCCCCBr

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL7763456 0.98 BCHE (0.34) ALDH1A1BCHEACHE
SCHEMBL7766585 0.98 BCHE (0.34) ALDH1A1BCHEACHE
SCHEMBL7768663 0.95 ALDH1A1 (0.33) ALDH1A1BCHEACHE
SCHEMBL9193908 0.90 ALDH1A1 (0.36) ALDH1A1BCHEACHE
SCHEMBL9193381 0.90 ALDH1A1 (0.36) ALDH1A1BCHEACHE
SCHEMBL9544583 0.85 L3MBTL1 (0.35) ALDH1A1BCHEACHE
SCHEMBL3371484 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4895132 0.84 THRA (0.38) ALDH1A1BCHEACHE
SCHEMBL7768631 0.84 GBA1 (0.33) ALDH1A1
SCHEMBL6678185 0.83 THRA (0.40) ALDH1A1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7291882-A None JP disclosed
EP-1077207-B1 Production process for hydroxyalkylester NIPPON CATALYTIC CHEM IND (JP) 2009-07-15 EP disclosed
US-6414182-B1 REACTING CARBOXYLIC ACID AND ALKYLENE OXIDE IN PRESENCE OF CATALYST, UNDER CONDITIONS WHERE MOLAR CONCENTRATION OF ALKYLENE OXIDE IN REACTION LIQUID IS KEPT GREATER THAN THAT OF ACID THROUGHOUT REACTION NIPPON SHOKUBAI CO., LTD. (JP) 2002-07-02 US disclosed
US-6410656-B1 STYRENESULFONIC ACID POLYMER MITSUBISHI CHEMICAL CORPORATION (JP) 2002-06-25 US disclosed
EP-0670184-B1 Method of demineralizing water or an aqueous solution MITSUBISHI CHEM CORP (JP) 2001-09-05 EP disclosed
EP-1077207-A2 Production process for hydroxyalkylester Nippon Shokubai Co., Ltd. (JP) 2001-02-21 EP disclosed
US-5954965-A FLOWING WATER AT HIGH SPACE VELOCITY THROUGH WATER TREATMENT SYSTEM UTILIZING A SPECIFIC STRONGLY BASIC ANION EXCHANGE RESIN TO IMMEDIATELY PRODUCE TASTELESS AND ODORLESS PURE WATER MITSUBISHI CHEMICAL CORPORATION (JP) 1999-09-21 US disclosed
EP-0919570-A1 CATION EXCHANGERS OR CHELATING AGENTS AND PROCESS FOR THE PREPARATION THEREOF Mitsubishi Chemical Corporation (JP) 1999-06-02 EP disclosed
US-5518627-A DEMINERALIZATION, BASIC ANION EXCHANGE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-21 US disclosed
JP-H07291882-A STYRENE DERIVATIVE AND ITS PRODUCTION MITSUBISHI CHEM CORP 1995-11-07 JP disclosed
EP-0670184-A2 Method of demineralizing water or an aqueous solution Mitsubishi Chemical Corporation (JP) 1995-09-06 EP disclosed