SCHEMBL7642174

SCHEMBL7642174

CCCCCC#CC(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.35
HMGCR P04035 3/20 0.35
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
TRPM8 Q7Z2W7 5/20 0.31
KCNH2 Q12809 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL9626661 0.98 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9626095 0.98 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL28072019 0.98 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL27988190 0.98 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9340006 0.98 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL28878327 0.93 TSHR (0.39) HMGCRTSHRTHRB
SCHEMBL9618435 0.92 PTPN7 (0.37) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9618431 0.84 HMGCR (0.37) HMGCRALDH1A1
SCHEMBL9618430 0.84 HMGCR (0.37) HMGCRALDH1A1
SCHEMBL9860189 0.83 LMNA (0.39) PTPN7HMGCRMEN1ALDH1A1MAPT

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
CN-110386863-A The method for being prepared with the reduced form halide that carbon-to-carbon unsaturated bond is reduced 信越化学工业株式会社 2019-10-29 CN disclosed
EP-3515595-A1 METHOD FOR PROVIDING A CATALYTICALLY ACTIVE FIXED BED FOR HYDROGENATING ORGANIC COMPOUNDS BASF SE (DE) 2019-07-31 EP disclosed
EP-3515597-A1 METHOD FOR THE HYDROGENATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF CO AND A FIXED CATALYST BED WHICH CONTAINS MONOLITHIC SHAPED CATALYST BODY BASF SE (DE) 2019-07-31 EP disclosed
US-20190210010-A1 METHOD FOR THE HYDROGENATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF CO AND A FIXED CATALYST BED WHICH CONTAINS MONOLITHIC SHAPED CATALYST BODY BASF SE (DE) 2019-07-11 US disclosed
CN-104098452-B ω-halogen-2-alkynes aldehyde, produce its method and use it to produce the method for Z-chain Ene alkynyl base acetic acid esters of conjugation SHIN-ETSU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-05-11 CN disclosed
CN-104098452-A OMEGA-HALO-2-ALKYNAL, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING CONJUGATED Z-ALKEN-YN-YL ACETATE USING SAME SHINETSU CHEMICAL CO 2014-10-15 CN disclosed
CN-1221499-C Partially hydrogenizing acetylenic hydrocarbon to produce C10-C30 olefines using fixed bed carried with palladium catalyst BASF CORP (DE) 2005-10-05 CN disclosed
US-6365790-B2 Preparation of C10-C30-alkenes by partial hydrogenation of alkynes over fixed-bed supported palladium catalysts BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
US-20010039368-A1 Preparation of C10-C30-alkenes by partial hydrogenation of alkynes over fixed-bed supported palladium catalysts BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 US disclosed
CN-1311179-A Partially hydrogenizing acetylenic hydrocarbon to produce C10-C30 olefines using fixed bed carried with palladium catalyst BASF CORP (DE) 2001-09-05 CN disclosed
US-5750806-A Preparation of alkenes by partial hydrogenation of alkynes over fixed-bed palladium catalysts BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed