SCHEMBL3380098

SCHEMBL3380098

CCC(=O)CC.COCC(C)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
GALR3 O60755 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 2/20 0.30
FAAH O00519 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Butanone SCHEMBL13724307 0.90 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
Propane SCHEMBL9161382 0.90 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23294918 0.89 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3255632 0.89
SCHEMBL3249555 0.89
SCHEMBL15667 0.89
Alcohol SCHEMBL2481278 0.88 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28255060 0.88 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL22607978 0.87 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3797009 0.87 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R

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
EP-1654119-B1 MULTILAYER IMAGEABLE ELEMENTS EASTMAN KODAK CO (US) 2010-11-24 EP disclosed
US-7186482-B2 Imageable element: a substrate, an underlayer of a polymeric material derived from an ethylenically unsaturated polymerizable monomer comprising a carboxy group,N-phenylmaleimide, N-cyclohexylmaleimide, and N-benzylmaleimide, an ink recptive top layer and a photothermal conversion material EASTMAN KODAK COMPANY (US) 2007-03-06 US disclosed
EP-1522417-B9 Multilayer imageable elements EASTMAN KODAK CO (US) 2006-10-25 EP disclosed
EP-1522417-B1 Multilayer imageable elements KODAK POLYCHROME GRAPHICS LLC (US) 2006-08-16 EP disclosed
US-7049045-B2 useful in forming lithographic printing plates; underlayer comprises resin(s) having activated methylol groups, such as a resole resin and a copolymer of methacrylic acid, a N-(phenyl, cyclohexyl or benzyl)maleimide, and a N-(trimethylsilanoxyalkyl)acrylamide or an N-(alkoxyalkyl)acrylamide KODAK POLYCHROME GRAPHICS LLC (US) 2006-05-23 US disclosed
EP-1654119-A1 MULTILAYER IMAGEABLE ELEMENTS Kodak Polychrome Graphics LLC (US) 2006-05-10 EP disclosed
US-20050287448-A1 Imageable element: a substrate, an underlayer of a polymeric material derived from an ethylenically unsaturated polymerizable monomer comprising a carboxy group,N-phenylmaleimide, N-cyclohexylmaleimide, and N-benzylmaleimide, an ink recptive top layer and a photothermal conversion material QUALEX INC. 2005-12-29 US disclosed
US-6893783-B2 Bakable lithography printing plates; multilayer, substrates, undercoatings, ink receiver overoatings; alkaline developer KODAK POLYCHROME GRAPHICS LLD (US) 2005-05-17 US disclosed
US-20050079432-A1 Bakable lithography printing plates; multilayer, substrates, undercoatings, ink receiver overoatings; alkaline developer KODAK AMERICAS LTD. 2005-04-14 US disclosed
EP-1522417-A1 Multilayer imageable elements Kodak Polychrome Graphics LLC (US) 2005-04-13 EP disclosed
WO-2005018934-A1 MULTILAYER IMAGEABLE ELEMENTS KODAK POLYCHROME GRAPHICS LLC (US) 2005-03-03 WO disclosed
US-20050037292-A1 useful in forming lithographic printing plates; underlayer comprises resin(s) having activated methylol groups, such as a resole resin and a copolymer of methacrylic acid, a N-(phenyl, cyclohexyl or benzyl)maleimide, and a N-(trimethylsilanoxyalkyl)acrylamide or an N-(alkoxyalkyl)acrylamide CITICORP NORTH AMERICA, INC., AS AGENT 2005-02-17 US disclosed