SCHEMBL1705783

SCHEMBL1705783

C=CCOC(=O)C(C)(C)N=NC(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7692367 1.00 TSHR (0.39) TSHRTDP1SMN1; SMN2CYP3A4PKM
SCHEMBL7218448 0.93 TSHR (0.39) TSHRTDP1SMN1; SMN2CYP3A4MAPT
SCHEMBL9282144 0.93 TSHR (0.39) TSHRTDP1SMN1; SMN2CYP3A4MAPT
SCHEMBL11359855 0.80 TSHR (0.33) TSHRTDP1
SCHEMBL11725731 0.77 MGAM (0.39) TSHRCYP3A4PKM
SCHEMBL3937564 0.77 MGAM (0.39) TSHRCYP3A4PKM
SCHEMBL452542 0.77 TSHR (0.39) TSHRTDP1SMN1; SMN2CYP3A4PKM
Bicarbonate SCHEMBL28099196 0.75 TSHR (0.40) TSHRTDP1SMN1; SMN2CYP3A4PKM
SCHEMBL194466 0.74 TSHR (0.42) TSHRTDP1SMN1; SMN2CYP3A4PKM
SCHEMBL7866089 0.74 TSHR (0.42) TSHRTDP1SMN1; SMN2CYP3A4PKM

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963391-B1 LOW SURFACE ENERGY, ETHYLENICALLY UNSATURATED POLYISOCYANATE ADDITION COMPOUNDS AND THEIR USE IN COATING COMPOSITIONS BAYER MATERIALSCIENCE LLC (US) 2014-02-26 EP disclosed
EP-1951778-B1 LOW SURFACE ENERGY, ETHYLENICALLY UNSATURATED POLYISOCYANATE ADDITION COMPOUNDS AND THEIR USE IN COATING COMPOSITIONS BAYER MATERIALSCIENCE LLC (US) 2012-04-18 EP disclosed
US-7956098-B2 Coating compositions containing ethylenically unsaturated polyurethanes as binders BAYER MATERIALSCIENCE LLC (US) 2011-06-07 US disclosed
US-7759447-B2 Low surface energy, ethylenically unsaturated polyisocyanate addition compounds and their use in coating compositions BAYER MATERIALSCIENCE LLC (US) 2010-07-20 US disclosed
US-20090142506-A1 Ethylenically unsaturated polyisocyanate addition compounds based on lysine triisocyanate, their use in coating compositions and processes for their preparation BAYER MATERIAL SCIENCE LLC 2009-06-04 US disclosed
EP-2065412-A1 Ethylenically unsaturated polyisocyanate addition compounds based on lysine triisocyanate, their use in coating compositions and processes for their preparation Bayer MaterialScience LLC (US) 2009-06-03 EP disclosed
EP-1712600-B1 Coating compositions containing ethylenically unsaturated polyurethanes as binders BAYER MATERIALSCIENCE LLC (US) 2008-10-08 EP disclosed
EP-1963391-A2 LOW SURFACE ENERGY, ETHYLENICALLY UNSATURATED POLYISOCYANATE ADDITION COMPOUNDS AND THEIR USE IN COATING COMPOSITIONS Bayer MaterialScience LLC (US) 2008-09-03 EP disclosed
EP-1954734-A1 LOW SURFACE ENERGY, ETHYLENICALLY UNSATURATED POLYISOCYANATE ADDITION COMPOUNDS AND THEIR USE IN COATING COMPOSITIONS Bayer MaterialScience LLC (US) 2008-08-13 EP disclosed
EP-1951785-A1 LOW SURFACE ENERGY, ETHYLENICALLY UNSATURATED POLYISOCYANATE ADDITION COMPOUNDS AND THEIR USE IN COATING COMPOSITIONS Bayer MaterialScience LLC (US) 2008-08-06 EP disclosed
US-4612352-A Water-soluble or water-dispersible graft polymers, their preparation and their use CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
US-4532277-A Polymer blend containing cellulose ester, ethylene-vinyl acetate copolymer, additional unsaturated polymer, multifunctional vinyl crosslinker BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
US-4442145-A CROSSLINKING MIXTURES BAYER AKTIENGESELLSCHAFT (DE) 1984-04-10 US disclosed
US-4410663-A Storable, saponification-resistant aqueous lacquer binders BAYER AKTIENGESELLSCHAFT (DE) 1983-10-18 US disclosed
US-4382114-A POLYESTERPOLYOL, ISOCYANATE BAYER AKTIENGESELLSCHAFT (DE) 1983-05-03 US disclosed
US-4304695-A Air-drying, fatty acid-modified lacquer binders, based on fumaric or maleic acid bis-glycidyl ester copolymers BAYER AKTIENGESELLSCHAFT (DE) 1981-12-08 US disclosed
US-4291135-A CROSSLINKABLE ACRYLATE COPOLYMERS, ALKYD RESINS AND POLYSILOXANES SUITABLE AS LACQUERS BAYER AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed
US-4276210-A ACRYLIC COPOLYMER, LACTAM, AND AMINOPLAST BAYER AKTIENGESELLSCHAFT (DE) 1981-06-30 US disclosed
US-4255530-A COMPRISING A COPOLYMER OF AN ALIPHATIC ESTER OF (METH)ACRYLIC ACID AND A SIMILAR ESTER HAVING 2-4 HYDROXYL GROUPS AND/OR A 5-M-DIOXANYLMETHYL MALEIC ACID SEMI-ESTER; COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed
US-4137389-A Low-molecular weight acrylate resins and a process for their production BAYER AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed