SCHEMBL9406740

SCHEMBL9406740

C=CC(=O)OCC(C)(C)C(O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 2/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TRPA1 O75762 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
SCHEMBL27881249 0.85 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7639334 0.85 HCAR2 (0.35) TSHRTRPA1
SCHEMBL23494110 0.83 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9705026 0.82 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9266203 0.79 HCAR2 (0.47) TSHRALDH1A1TP53TRPA1
SCHEMBL5667438 0.79 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15412274 0.79 TRPA1 (0.37) TSHRALDH1A1CYP3A4HSD17B10TRPA1
SCHEMBL29845619 0.79 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29458068 0.79 ALDH1A1 (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23493849 0.79 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP claimed
US-5110889-A Lower alkyl ether acrylates of polyols; coatings DIAMOND SHAMROCK CHEMICAL CO. (US) 1992-05-05 US claimed
EP-0222059-A2 Improved radiation-hardenable diluents HENKEL CORPORATION (a Delaware corp.) (US) 1987-05-20 EP claimed
WO-2022130803-A1 WIRING BOARD 東レ株式会社 2022-06-23 WO disclosed
EP-3399002-B1 HIGHLY SCRATCH RESISTANT ONE-PACK TYPE PAINT COMPOSITION KCC CORP (KR) 2020-08-26 EP disclosed
US-10683436-B2 One-component type paint composition with superior scratch resistance KCC CORPORATION (KR) 2020-06-16 US disclosed
US-20190016921-A1 ONE-COMPONENT TYPE PAINT COMPOSITION WITH SUPERIOR SCRATCH RESISTANCE KCC CORPORATION (KR) 2019-01-17 US disclosed
EP-3399002-A1 HIGHLY SCRATCH RESISTANT ONE-PACK TYPE PAINT COMPOSITION KCC Corporation (KR) 2018-11-07 EP disclosed
US-5292965-A Monomethoxy propoxylated glycerol DIAMOND SHAMROCK CHEMICALS COMPANY 1994-03-08 US disclosed
US-5243085-A Starting materials for improved radiation hardenable diluents DIAMOND SHAMROCK CHEMICAL CO. (US) 1993-09-07 US disclosed
US-5159119-A Monomethyl ether of trans 1,4-cyclohexanedimethylol DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1992-10-27 US disclosed
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP disclosed
US-5110889-A Lower alkyl ether acrylates of polyols; coatings DIAMOND SHAMROCK CHEMICAL CO. (US) 1992-05-05 US disclosed
US-5053554-A Monomethyl ether of an ethoxylated or propoxylated(2 average) neopentyl glycol; nonvolatile coating formulation; fact cure; low viscosity; shrinkage inhibition; rheology DIAMOND SHAMROCK CHEMICAL COMPANY 1991-10-01 US disclosed
US-4876384-A ALKYL ETHER ACRYLATES AND METHACRYLATES OF ALKOXYLATED AND NONALKOXYLATED POLYOLS; LOW VISCOSITY; SHRINKAGE INHIBITION DIAMOND SHAMROCK CHEMICALS CO. (US) 1989-10-24 US disclosed
EP-0222059-A2 Improved radiation-hardenable diluents HENKEL CORPORATION (a Delaware corp.) (US) 1987-05-20 EP disclosed
EP-0035272-B1 COATING COMPOSITION AND PROCESS FOR PREPARING SYNTHETIC RESIN SHAPED ARTICLES BY USING SAME MITSUBISHI RAYON CO., LTD. (JP) 1984-07-25 EP disclosed
US-4339474-A POLYFUNCTIONAL ACRYLATE, MONO- OR DIACRYLATE, ULTRAVIOLET ABSORBER, PHOTOINITIATOR MITSUBISHI RAYON COMPANY, LTD. (JP) 1982-07-13 US disclosed