SCHEMBL9717637

SCHEMBL9717637

C=C(O)C(=O)OCCCCl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL1931997 0.80 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28112100 0.79 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL198128 0.77 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28321896 0.77 TSHR (0.39) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8395128 0.77 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5953828 0.76 TSHR (0.68) TSHRALDH1A1CYP3A4CA1CA2
SCHEMBL11529649 0.76 ALDH1A1 (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3189199 0.76 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL611233 0.75
SCHEMBL1603614 0.75 TSHR (0.55) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171784-A Blends of vinyl chloride copolymers, phenoyx resins, hydroxy acrylate or methacrylate lactone adducts and acrylate-diisocyanate adducts; magnetic recording media UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-12-15 US disclosed
EP-0217410-B1 PHOSPHORYLATED REACTION PRODUCTS AND COMPOSITIONS INCORPORATING SUCH PRODUCTS UNION CARBIDE CORPORATION (US) 1991-09-18 EP disclosed
EP-0375659-A2 Phosphorylated reaction products and compositions incorporating such products UNION CARBIDE CORPORATION (US) 1990-06-27 EP disclosed
EP-0375660-A2 Phosphorylated reaction products and compositions incorporating such products UNION CARBIDE CORPORATION (US) 1990-06-27 EP disclosed
EP-0217410-A2 Phosphorylated reaction products and compositions incorporating such products UNION CARBIDE CORPORATION (US) 1987-04-08 EP disclosed