SCHEMBL9248680

SCHEMBL9248680

C=C(C)C(=O)OCC1CO1.O=C1CC1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.83
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 4/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MGLL Q99685 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2048901 0.91 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53TSHRCYP2D6
SCHEMBL5098171 0.91 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53TSHRCYP2D6
SCHEMBL15617 0.91 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53TSHRCYP2D6
SCHEMBL5098181 0.91 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53TSHRCYP2D6
Ethylene SCHEMBL7853286 0.90 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRCYP2D6
Bromide SCHEMBL18420123 0.90 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRCYP2D6
Ethylene SCHEMBL380903 0.90 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRCYP2D6
SCHEMBL6684934 0.90 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRCYP2D6
SCHEMBL20496120 0.90 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRCYP2D6
SCHEMBL9751485 0.90 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438098-A Blend of polyarylene sulfie;, polycarbonater and/or acrylonitrile-butadiene-styrene resin, and epoxy group containing defin graft polymer as compatibilizer NIPPON PETROCHEMICALS CO., LTD. (JP) 1995-08-01 US disclosed
US-5296538-A Polyarylene sulfide, polycarbonate, polyphenylene ether and graft copolymer for automobile parts and electronics NIPPON PETROCHEMICALS CO., LTD. (JP) 1994-03-22 US disclosed
EP-0506006-A2 Thermoplastic resin composition NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-09-30 EP disclosed
EP-0187176-B1 METAL-PLATED MOLDING TORAY INDUSTRIES, INC. (JP) 1991-03-20 EP disclosed
US-4664983-A METAL-PLATED TORAY INDUSTRIES INC. (JP) 1987-05-12 US disclosed
EP-0187176-A1 Metal-plated molding TORAY INDUSTRIES, INC. (JP) 1986-07-16 EP disclosed
EP-0010773-B1 THERMOPLASTIC POLYESTER RESINOUS COMPOSITION TORAY INDUSTRIES, INC. (JP) 1983-02-16 EP disclosed
US-4246378-A CONTAINING AN EPOXY COMPOUND, AN ORGANIC SULFONATE OR SULFATE SALT TORAY INDUSTRIES, INC. (JP) 1981-01-20 US disclosed
EP-0010773-A1 Thermoplastic polyester resinous composition TORAY INDUSTRIES, INC. (JP) 1980-05-14 EP disclosed