SCHEMBL6435019

SCHEMBL6435019

CC(C)(C)c1ccc(O)c(C(C)(C)C)c1.Cc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
ALOX15 P16050 4/20 0.55
HSD17B10 Q99714 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
HPGD P15428 1/20 0.55
TYR P14679 3/20 0.53
LMNA P02545 2/20 0.53
NR1I2 O75469 1/20 0.53
CYP2C9 P11712 1/20 0.53
MIF P14174 1/20 0.53
HTT P42858 1/20 0.53
NFE2L2 Q16236 1/20 0.53
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B2 P37059 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL270433 0.90 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL109921 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL29364103 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL29359626 0.90 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL29851227 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL28420832 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL3859151 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10TDP1HPGD
Hydrochloric Acid SCHEMBL4359705 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL29614756 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL30621342 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318970-B2 Process for preparing (meth)acrylates of C10-alcohol mixtures BASF SE (DE) 2012-11-27 US claimed
CN-118302404-A Method for producing 2-octyl (meth) acrylate 巴斯夫欧洲公司 2024-07-05 CN disclosed
EP-1492750-A1 STABILIZATION AND USE OF PROPARGYL BROMIDE Dead Sea Bromine Company Limited (IL) 2005-01-05 EP disclosed
WO-2003087024-A1 STABILIZATION AND USE OF PROPARGYL BROMIDE DEAD SEA BROMINE COMPANY LIMITED (IL) 2003-10-23 WO disclosed