SCHEMBL1017646

SCHEMBL1017646

CC(CC(C)C)=C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
GRIK1 P39086 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL18640438 1.00 ALDH1A1 (0.50) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL1017645 1.00 ALDH1A1 (0.50) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL3272877 0.82 TDP1 (0.36) ALDH1A1TDP1GRIK1
SCHEMBL29296425 0.81 ALDH1A1 (0.52) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL29296411 0.81 ALDH1A1 (0.52) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL1509857 0.80 GABRP (0.39) ALDH1A1TDP1GRIK1SLC7A5
SCHEMBL670991 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL670992 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL1746341 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL11353046 0.78 ALDH1A1 (0.33) ALDH1A1TDP1CA2

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
EP-1890346-B1 Method for forming an organic TFT FLEXENABLE LTD (GB) 2018-10-24 EP disclosed
CN-104011925-A Lithium secondary battery and method for manufacturing the same LG CHEMICAL LTD 2014-08-27 CN disclosed
US-8541257-B2 Aligned polymers for an organic TFT CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2013-09-24 US disclosed
US-20110008929-A1 ALIGNED POLYMERS FOR AN ORGANIC TFT CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2011-01-13 US disclosed
EP-1890346-A2 ALIGNED POLYMERS FOR AN ORGANIC TFT Cambridge Enterprise Limited (GB) 2008-02-20 EP disclosed
US-20070264748-A1 ALIGNED POLYMERS FOR AN ORGANIC TFT CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMTED 2007-11-15 US disclosed
US-20040247814-A1 Aligned polymer organic TFT FLEXENABLE TECHNOLOGY LIMITED (GB) 2004-12-09 US disclosed
US-6723394-B1 Aligned polymers for an organic TFT CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2004-04-20 US disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
EP-1192676-A1 ALIGNED POLYMERS FOR AN ORGANIC TFT CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2002-04-03 EP disclosed
WO-2000079617-A1 ALIGNED POLYMERS FOR AN ORGANIC TFT CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2000-12-28 WO disclosed