SCHEMBL4654394

SCHEMBL4654394

CC(C)C[C](CC(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10734089 0.83 ALDH1A1 (0.36) ALDH1A1TDP1CA2TSHR
SCHEMBL7389115 0.78 CA2 (0.36) ALDH1A1TDP1CA2
SCHEMBL7437356 0.74 CES1 (0.36) ALDH1A1TDP1
SCHEMBL7440935 0.73 CES2 (0.39) ALDH1A1TDP1TSHR
SCHEMBL4654364 0.69 TSHR (0.37) TSHR
SCHEMBL4654372 0.69 TSHR (0.37) ALDH1A1TDP1CA2TSHR
SCHEMBL5592499 0.69 ALDH1A1 (0.42) ALDH1A1TDP1CA2TSHR
SCHEMBL14350255 0.67 ALDH1A1 (0.35) ALDH1A1TDP1CA2TSHR
SCHEMBL12748292 0.67 ALDH1A1 (0.35) ALDH1A1TDP1CA2TSHR
SCHEMBL3075108 0.67 TDP1 (0.47) ALDH1A1TDP1CA2TSHR

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
CN-107344980-A Catalytic component, catalyst system and its application for olefinic polymerization 中国石油化工股份有限公司 2017-11-14 CN claimed
CN-107344976-A Catalytic component, catalyst system and its application for olefinic polymerization 中国石油化工股份有限公司 2017-11-14 CN claimed
CN-107344979-A Catalytic component, catalyst system and its application for olefinic polymerization 中国石油化工股份有限公司 2017-11-14 CN claimed
CN-107344976-A Catalytic component, catalyst system and its application for olefinic polymerization 中国石油化工股份有限公司 2017-11-14 CN disclosed
CN-107344980-A Catalytic component, catalyst system and its application for olefinic polymerization 中国石油化工股份有限公司 2017-11-14 CN disclosed
CN-107344979-A Catalytic component, catalyst system and its application for olefinic polymerization 中国石油化工股份有限公司 2017-11-14 CN disclosed
EP-3027629-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES BASF SE (DE) 2016-06-08 EP disclosed
WO-2015014835-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES BASF SE (DE) 2015-02-05 WO disclosed
EP-1986598-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE Merck Patent GmbH (DE) 2008-11-05 EP disclosed
WO-2007093252-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE MERCK PATENT GMBH (DE) 2007-08-23 WO disclosed
US-4827070-A DEHYDROISOMERIZATION WITH CATALYST IN PRESENCE OF OXYGEN FOR BY-PRODUCT INHIBITION BP CHEMICALS LIMITED (GB) 1989-05-02 US disclosed
US-4771037-A N-CARBOXYALKYL-PEPTIDES USEFUL AS INHIBITORS OF PROTEOGLYCANASE ICI AMERICAS INC. (US) 1988-09-13 US disclosed