SCHEMBL727582

SCHEMBL727582

C[Al](Cl)Oc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1H4 Q96RI1 1/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX12 P18054 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
SCHEMBL727523 0.85 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL938828 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL937814 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL585173 0.80 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8859905 0.78 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8859897 0.78 SMN1; SMN2 (0.43) CA2ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL8859902 0.76 PTGDR2 (0.32)
SCHEMBL586101 0.75 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
Aluminum Chloride Anhydrous SCHEMBL28502560 0.75 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL596342 0.73 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765471-A1 NOVEL VINYL PHOSPHINES AND PHOTO-INITIATORS OBTAINABLE THEREFROM Grützmacher, Hansjörg (CH) 2021-01-20 EP claimed
WO-2019175319-A1 NOVEL VINYL PHOSPHINES AND PHOTO-INITIATORS OBTAINABLE THEREFROM ETH ZURICH (CH) 2019-09-19 WO claimed
EP-1572752-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2014-08-13 EP claimed
EP-1578806-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2013-05-22 EP claimed
EP-1761574-B1 POLYMERIZATION PROCESS USING HYDROFLUOROCARBONS EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
EP-1572753-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
US-8178465-B2 Polydispersity-controlled isoolefin polymerization with polymorphogenates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-05-15 US claimed
JP-4729040-B2 2011-07-20 JP claimed
US-20110111950-A1 Polydispersity-Controlled Isoolefin Polymerization With Polymorphogenates EXXONMOBIL CHEMICAL PATENTS INC. 2011-05-12 US claimed
US-7781547-B2 Reactor systems for use in polymerization processes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-08-24 US claimed
EP-1572763-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS ExxonMobil Chemical Patents Inc. (US) 2005-09-14 EP claimed
US-20050107536-A1 Polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. 2005-05-19 US claimed
US-20050101751-A1 Halogenated polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. 2005-05-12 US claimed
WO-2004067577-A2 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-08-12 WO claimed
WO-2004058829-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
WO-2004058836-A1 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058825-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
WO-2004058828-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058827-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058835-A1 POLYMERS SUBSTANTIALLY FREE OF LONG CHAIN BRANCHING EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed