SCHEMBL445591

SCHEMBL445591

CCOCC(C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.39
ALOX15 P16050 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
TSHR P16473 2/20 0.38
TRPA1 O75762 1/20 0.36
PIN1 Q13526 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 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
SCHEMBL3675031 0.88 ALDH1A1 (0.41) ALDH1A1HSD17B10LMNACYP3A4CYP2C19
SCHEMBL10404799 0.85 HSD17B10 (0.40) ALDH1A1HSD17B10LMNATSHRCHRM1
SCHEMBL10405304 0.85 HSD17B10 (0.50) ALDH1A1HSD17B10LMNACYP3A4CYP2C19
SCHEMBL444073 0.84 TSHR (0.42) ALDH1A1HSD17B10LMNAGAAALOX15
SCHEMBL13502934 0.84 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAGAAALOX15
SCHEMBL10272288 0.84 TSHR (0.42) ALDH1A1HSD17B10LMNAGAAALOX15
SCHEMBL7697129 0.84 TSHR (0.35) ALDH1A1CYP3A4CYP2C19GAAMGAM
SCHEMBL10405112 0.82 TSHR (0.37) ALDH1A1HSD17B10LMNAGAAALOX15
SCHEMBL444495 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP3A4CYP2C19ALOX15
SCHEMBL12150115 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1016698-B1 Use of a solvent composition containing an oxyisobutyric acid ester as a solvent in coatings, adhesives and printing inks MITSUBISHI RAYON CO (JP) 2004-09-22 EP claimed
EP-0629671-B1 Solvent composition MITSUBISHI RAYON CO (JP) 2002-03-27 EP claimed
EP-1016698-A1 Use of a solvent composition containing an oxyisobutyric acid ester as a solvent in coatings, adhesives and printing inks Mitsubishi Rayon Co., Ltd. (JP) 2000-07-05 EP claimed
EP-1016699-A1 Use of a solvent composition comprising an oxyisobutyric acid ester as a cleaning agent Mitsubishi Rayon Co., Ltd. (JP) 2000-07-05 EP claimed
US-5630945-A RECOVERING STYRENE, POLYESTER AND ACRYLIC RESIN FROM WASTE AS A SOLUTION AND RECOVERING SOLVENT WITH OXYISOBUTYRIC ACID ESTER NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-20 US claimed
US-5612303-A HYDROXY OR ETHERIFIED ESTERS NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-03-18 US claimed
EP-0629671-A2 Solvent composition NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-12-21 EP claimed
JP-8231990-A None JP disclosed
JP-8067884-A None JP disclosed
CN-113454526-B Liquid crystal aligning agent and liquid crystal display element using same 日产化学株式会社 2024-06-21 CN disclosed
CN-107533259-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学工业株式会社 2024-06-21 CN disclosed
CN-109976097-B Method of forming micropattern and substrate processing apparatus 三星电子株式会社 2024-06-18 CN disclosed
CN-112041739-B Liquid crystal light modulation element 日产化学株式会社 2024-06-11 CN disclosed
US-5630945-A RECOVERING STYRENE, POLYESTER AND ACRYLIC RESIN FROM WASTE AS A SOLUTION AND RECOVERING SOLVENT WITH OXYISOBUTYRIC ACID ESTER NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-20 US disclosed
US-5612303-A HYDROXY OR ETHERIFIED ESTERS NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-03-18 US disclosed
JP-H08231990-A DETERGENT FOR WAX AND CLEANING METHOD NITTO CHEM IND CO LTD 1996-09-10 JP disclosed
JP-H0867884-A IMPROVER FOR OCTANE NUMBER NITTO CHEM IND CO LTD 1996-03-12 JP disclosed
EP-0629671-A2 Solvent composition NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-12-21 EP disclosed
US-4978754-A REACTING B-ALKOXY-SUBSTITUTED CARBOXYLATE WITH CYCLIC AMINE, REMOVING ALCOHOL IN PRESENCE OF BASIC CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-12-18 US disclosed
EP-0321256-A2 Process of preparing unsaturated carboxylic acid amides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-06-21 EP disclosed