SCHEMBL4431781

SCHEMBL4431781

OC(CCCCC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.66
CHRM4 P08173 14/20 0.62
CHRM3 P20309 14/20 0.62
CHRM5 P08912 13/20 0.62
CHRM2 P08172 13/20 0.62
CHRM1 P11229 13/20 0.62
HTR1A P08908 2/20 0.58
CYP2D6 P10635 2/20 0.58
OPRM1 P35372 2/20 0.58
KCNH2 Q12809 2/20 0.58
KDM4E B2RXH2 1/20 0.58
DRD2 P14416 1/20 0.58
DRD1 P21728 1/20 0.58
HTR2A P28223 1/20 0.58
DRD3 P35462 1/20 0.58
SCN1A P35498 1/20 0.58
SCN2A Q99250 1/20 0.58
SCN3A Q9NY46 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 2/20 0.56

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
SCHEMBL6048472 0.91 SIGMAR1 (0.58) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL560935 0.89 SMN1; SMN2 (0.61) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL5100291 0.89 KIF11 (0.61) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL5089212 0.89 SIGMAR1 (0.61) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL2006125 0.88 CHRM4 (0.56) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL5091772 0.87 SIGMAR1 (0.59) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL5091996 0.87 KIF11 (0.59) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL5093516 0.87 KIF11 (0.59) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL5093688 0.87 SIGMAR1 (0.59) SIGMAR1CHRM4CHRM3CHRM5CHRM2
SCHEMBL5395161 0.87 SIGMAR1 (0.64) SIGMAR1CHRM4CHRM3CHRM5CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101023111-B Modified phenol novolac resin and application thereof INDSPEC CHEMICAL CORP 2010-09-29 CN disclosed
US-7498371-B2 Obtained by reacting resorcinol, 2,4-pentanediol, and aldehyde in the presence of an acid catalyst ; relatively low level of free resorcinol; low fuming, lower Mooney viscosity (better processing), better dynamic stiffness properties; used as a methylene acceptor in a vulcanizable rubber; reinforcement SUMITOMO CHEMICAL CO., LTD. (JP) 2009-03-03 US disclosed
CN-101023111-A Modified phenol novolac resin and application thereof INDSPEC CHEMICAL CORP (US) 2007-08-22 CN disclosed
EP-1812487-A2 MODIFIED PHENOLIC NOVOLAK RESINS AND APPLICATIONS THEREOF INDSPEC CHEMICAL CORPORATION (US) 2007-08-01 EP disclosed
WO-2006036760-A2 MODIFIED PHENOLIC NOVOLAK RESINS AND APPLICATIONS THEREOF INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
US-20060069191-A1 Modified phenolic novolak resins and applications thereof INDSPEC CHEMICAL CORPORATION (US) 2006-03-30 US disclosed