SCHEMBL8644707

SCHEMBL8644707

C=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCCO

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
THRB P10828 1/20 0.43
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.34
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
HPGD P15428 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
1,4-Butanediol SCHEMBL1696585 0.91 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
1,3-Propanediol SCHEMBL14910914 0.91 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4450451 0.90 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8862241 0.90 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
Ethylene Glycol SCHEMBL28321709 0.88 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7916063 0.87 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9695772 0.86 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19017 0.86 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15480 0.86 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11606986 0.84 TSHR (0.75) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760136-A FORMING AN ADDITION-CONDENSATION COPOLYMER BY POLYMERIZING AN AZO-CONTAINING POLYSILOXANE AND AN UNSATURATED MONOMER; CATIONIC AND NONIONIC POLYMERS; POLYAMPHOLYTES; COATINGS; ADHESIVES; PAINTS; HAIR COSMETICS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-02 US claimed
US-4323363-A DISPERSE DYE USED ON POLYESTERS MIXED WITH CELLULOSE CASSELLA AKTIENGESELLSCHAFT (DE) 1982-04-06 US disclosed