SCHEMBL9204533

SCHEMBL9204533

CCC(C)c1ccccc1P

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
RORC P51449 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
HTT P42858 2/20 0.36
PPARA Q07869 1/20 0.36
TRPA1 O75762 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL994607 0.83 TSHR (0.73) TSHRRORCGABRA1GABRB2KDM4E
SCHEMBL11713037 0.83 TSHR (0.41) TSHRGABRA1GABRB2
SCHEMBL10961181 0.81 TSHR (0.48) TSHRRORCGABRA1GABRB2KDM4E
SCHEMBL2231035 0.79 TSHR (0.40) TSHRGABRA1GABRB2
Hydrogen Peroxide SCHEMBL3675725 0.78 TSHR (0.74) TSHRRORCGABRA1GABRB2KDM4E
Bromide SCHEMBL7932453 0.77 TSHR (0.39) TSHR
Hydrochloric Acid SCHEMBL7930534 0.77 TSHR (0.39) TSHR
SCHEMBL9621456 0.76 TSHR (0.64) TSHRRORCGABRA1GABRB2KDM4E
SCHEMBL944816 0.76 TSHR (0.64) TSHRRORCGABRA1GABRB2KDM4E
SCHEMBL6682973 0.76 TSHR (0.64) TSHRRORCGABRA1GABRB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531174-B1 Oligomerization catalyst for alpha-olefins and process for oligomerizing alpha-olefins MITSUI PETROCHEMICAL IND (JP) 1995-06-21 EP disclosed
US-5286695-A Oligomerization catalyst for α-olefins and process for oligomerizing α-olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-02-15 US disclosed
EP-0331117-B1 DIMETRIZATION OF LOWER ALPHA-OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-19 EP disclosed
EP-0531174-A2 Oligomerization catalyst for alpha-olefins and process for oligomerizing alpha-olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-10 EP disclosed
US-4992610-A Dimerization of lower α-olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-02-12 US disclosed
EP-0331117-A1 Dimetrization of lower alpha-olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-09-06 EP disclosed
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 US disclosed
US-4294989-A OPTICALLY ACTIVE HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1981-10-13 US disclosed
US-4265827-A METHYLCYCOHEXYL-O-ANISYLARSINE OPTICALLY ACTIVE CATALYST MONSANTO COMPANY (US) 1981-05-05 US disclosed
US-4261919-A OF BETA-SUBSTITUTED-ALPHA-ACYLAMIDO-ACRYLIC ACIDS TO YIELD OPTICALLY ACTIVE MIXTURE MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4124533-A HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1978-11-07 US disclosed
US-4119652-A HYDROGENATION CATALYSTS; COORDINATION COMPOUNDS OF IRIDIUM, RHODIUM OR RUTHENIUM WITH PHOSPHINE OR ARSINE LIGANDS; OPTICALLY ACTIVE MONSANTO COMPANY (US) 1978-10-10 US disclosed