SCHEMBL8773545

SCHEMBL8773545

CCS(=O)(=O)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.39
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.32
CA2 P00918 2/20 0.32
HSD11B1 P28845 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30
TP53 P04637 2/20 0.30
HTT P42858 1/20 0.30
HTR6 P50406 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
SCHEMBL11358252 0.78
SCHEMBL27518864 0.78 FAAH (0.43) PSIP1TDP1CYP3A4CA2HTR6
SCHEMBL8934009 0.78 TSHR (0.38) PSIP1TDP1ALDH1A1CYP3A4CA2
SCHEMBL27722081 0.78 CA2 (0.43) CA2
Silver SCHEMBL9803503 0.78 TDP1 (0.39) PSIP1TDP1CYP3A4CA2HTR6
SCHEMBL28052482 0.78 TDP1 (0.38) PSIP1TDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL8773423 0.76 TSHR (0.37) PSIP1TDP1ALDH1A1CYP3A4CA2
SCHEMBL8773420 0.76 CA12 (0.41) TDP1ALDH1A1CYP3A4CA2TP53
SCHEMBL11015342 0.76 CA2 (0.37) PSIP1TDP1CYP3A4CA2HTR6
Fluoride SCHEMBL27518867 0.76 TSHR (0.37) PSIP1TDP1ALDH1A1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696304-A REACTING CONJUGATED ALKADIENOL WITH WATER USING PALLADIUM CATALYST IN LOW BOILING REACTION SOLVENT, THEN DISTILLATION MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-09 US disclosed
EP-0605735-B1 PROCESS FOR PRODUCING ALKADIENOL MITSUBISHI CHEM CORP (JP) 1997-11-05 EP disclosed
US-5557016-A HYDROXYLATION OF CONJUGATED ALKADIENES IN THE PRESENCE OF PALLADIUM CATALYSIS MITSUBISHI KASEI CORPORATION (JP) 1996-09-17 US disclosed
EP-0605735-A1 PROCESS FOR PRODUCING ALKADIENOL Mitsubishi Chemical Corporation (JP) 1994-07-13 EP disclosed
US-4687874-A Selective hydroformylation process using alkyl diaryl phosphine rhodium carbonyl hydride catalysts EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-08-18 US disclosed
US-4687866-A Ligand exchange process for producing alkyl diaryl phosphine rhodium carbonyl hydrides EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-08-18 US disclosed
US-4668809-A ALKYL DIARYLPHOSPHINE RHODIUM CARBONYL HYDRIDES, HYDROFORMYLATION, OLEFINS EXXON RESEARCH AND ENGINEERING (US) 1987-05-26 US disclosed
EP-0071281-B1 HYDROFORMYLATION PROCESS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-06-18 EP disclosed
US-4595753-A Nitrogen heterocycle substituted EXXON RESEARCH AND ENGINEERING CO. (US) 1986-06-17 US disclosed
EP-0024091-B1 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-04-03 EP disclosed
EP-0024091-A4 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS. EXXON RESEARCH ENGINEERING CO (US) 1981-07-16 EP disclosed
EP-0024091-A1 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS. EXXON RESEARCH ENGINEERING CO (US) 1981-02-25 EP disclosed
WO-1980001690-A1 CARBONYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS EXXON RESEARCH ENGINEERING CO (US) 1980-08-21 WO disclosed