SCHEMBL4617113

SCHEMBL4617113

C=C(C(=O)O)C(C)(C)CCCO[SiH3]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
PPARA Q07869 9/20 0.34
TDP1 Q9NUW8 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL3775749 0.79 GGPS1 (0.45)
SCHEMBL5013847 0.77 FDPS (0.39) ACLYACACBACACATDP1CYP1A2
SCHEMBL14245484 0.77 GGPS1 (0.48) ACLY
SCHEMBL6447500 0.76 GGPS1 (0.38) ACLYACACBACACAPPARATDP1
SCHEMBL871547 0.76 CYP4F2 (0.44) ACLYACACBACACATDP1CYP4F2
SCHEMBL11593761 0.76 FDPS (0.41) ACLYACACBACACATDP1CYP4F2
SCHEMBL18613796 0.76 FDPS (0.41) ACLYACACBACACATDP1CYP4F2
SCHEMBL492500 0.75 ODC1 (0.38) ACLYACACBACACACYP1A2TSHR
Bromide SCHEMBL7118671 0.74 GGPS1 (0.46) ACLY
SCHEMBL27528939 0.72 PPARA (0.52) PPARASMN1; SMN2

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
EP-0769513-B1 Curable resin composition NIPPON PAINT CO LTD (JP) 1999-11-17 EP claimed
EP-0769513-A1 Curable resin composition NIPPON PAINT CO., LTD. (JP) 1997-04-23 EP claimed
EP-1334988-B9 ULTRAVIOLET-ABSORBING RESIN, AQUEOUS RESIN EMULSION, RESIN COMPOSITION, AQUEOUS RESIN EMULSION COMPOSITION AND ITS USE, AND AQUEOUS POLYURETHANE EMULSION DAICEL CHEM (JP) 2008-07-09 EP disclosed
EP-1334988-B1 ULTRAVIOLET-ABSORBING RESIN, AQUEOUS RESIN EMULSION, RESIN COMPOSITION, AQUEOUS RESIN EMULSION COMPOSITION AND ITS USE, AND AQUEOUS POLYURETHANE EMULSION DAICEL CHEM (JP) 2007-12-26 EP disclosed
EP-1334988-A1 ULTRAVIOLET-ABSORBING RESIN, AQUEOUS RESIN EMULSION, RESIN COMPOSITION, AQUEOUS RESIN EMULSION COMPOSITION AND ITS USE, AND AQUEOUS POLYURETHANE EMULSION DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2003-08-13 EP disclosed
US-20030144455-A1 Ultraviolet-absorbing resin, aqueous resin emulsion, resin composition, aqueous resin emulsion composition and use thereof, and aqueous polyurethane emulsion DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-31 US disclosed