SCHEMBL468531

SCHEMBL468531

CCCCCCCCc1c(N)nc(N)nc1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
TLR8 Q9NR97 9/20 0.50
TLR7 Q9NYK1 3/20 0.50
DHFR P00374 2/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS1 P29475 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL29262764 0.91 CYP2D6 (0.52) CYP2D6TLR8TLR7DHFRALDH1A1
SCHEMBL9499496 0.88 TLR8 (0.60) CYP2D6TLR8TLR7DHFR
SCHEMBL17545030 0.86 DHFR (0.54) CYP2D6TLR8TLR7DHFR
SCHEMBL4375162 0.84 DHFR (0.49) CYP2D6TLR8TLR7DHFR
SCHEMBL30035562 0.81 TLR8 (0.59) TLR8TLR7DHFR
SCHEMBL20242690 0.81 TLR8 (0.59) TLR8TLR7DHFR
SCHEMBL1091936 0.79 DHFR (0.47) CYP2D6TLR8TLR7DHFRALDH1A1
SCHEMBL12495810 0.79 TLR8 (0.47) TLR8TLR7DHFRALDH1A1KCNH2
SCHEMBL12495463 0.79 TLR8 (0.47) TLR8TLR7DHFRALDH1A1MAPT
SCHEMBL113502 0.78 ALDH1A1 (0.46) TLR8TLR7DHFRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386606-B1 USE OF ORGANOGELATOR DERIVATIVES IN BITUMINOUS COMPOSITIONS TO IMPROVE THE RESISTANCE THEREOF TO CHEMICAL ATTACKS TOTAL MARKETING SERVICES (FR) 2018-03-21 EP disclosed
EP-2787043-B1 USE OF ORGANOGELATOR DERIVATIVES IN BITUMINOUS COMPOSITIONS TO IMPROVE THE RESISTANCE THEREOF TO CHEMICAL ATTACKS TOTAL MARKETING SERVICES (FR) 2018-03-21 EP disclosed
EP-2106423-B1 BITUMINOUS COMPOSITION WITH THERMOREVERSIBLE PROPERTIES TOTAL MARKETING SERVICES (FR) 2017-08-30 EP disclosed
EP-2106423-B1 BITUMINOUS COMPOSITION WITH THERMOREVERSIBLE PROPERTIES TOTAL MARKETING SERVICES (FR) 2017-08-30 EP disclosed
US-9238752-B2 Bituminous composition with thermoreversible properties TOTAL RAFFINAGE MARKETING (FR) 2016-01-19 US disclosed
US-9127162-B2 Use of organogelator derivatives in bituminous compositions to improve the resistance of same to chemical stress TOTAL RAFFINAGE MARKETING (FR) 2015-09-08 US disclosed
EP-2787043-A1 Use of organogelling agents in bituminous compositions in order to improve the resistance thereof to chemical attacks TOTAL MARKETING SERVICES (FR) 2014-10-08 EP disclosed
US-20130298800-A1 BITUMINOUS COMPOSITION WITH THERMOREVERSIBLE PROPERTIES TOTALENERGIES ONETECH (FR) 2013-11-14 US disclosed
US-20130041075-A1 USE OF ORGANOGELATOR DERIVATIVES IN BITUMINOUS COMPOSITIONS TO IMPROVE THE RESISTANCE OF SAME TO CHEMICAL STRESS TOTAL RAFFINAGE MARKETING (FR) 2013-02-14 US disclosed
EP-2386606-A1 Use of organogelling agents in bituminous compositions in order to improve the resistance thereof to chemical attacks Total Raffinage Marketing (FR) 2011-11-16 EP disclosed
WO-2011135549-A1 USE OF ORGANOGELATOR DERIVATIVES IN BITUMINOUS COMPOSITIONS TO IMPROVE THE RESISTANCE OF SAME TO CHEMICAL STRESS TOTAL RAFFINAGE MARKETING (FR) 2011-11-03 WO disclosed
US-8040768-B2 Information recording apparatus HITACHI, LTD. (JP) 2011-10-18 US disclosed
US-20100192804-A1 BITUMINOUS COMPOSITION WITH THERMOREVERSIBLE PROPERTIES TOTAL RAFFINAGE MARKETING (FR) 2010-08-05 US disclosed
EP-2106423-A2 BITUMINOUS COMPOSITION WITH THERMOREVERSIBLE PROPERTIES TOTAL RAFFINAGE MARKETING (FR) 2009-10-07 EP disclosed
WO-2008107551-A2 BITUMINOUS COMPOSITION WITH THERMOREVERSIBLE PROPERTIES TOTAL RAFFINAGE MARKETING (FR) 2008-09-12 WO disclosed