SCHEMBL8323892

SCHEMBL8323892

CC(C)(C=CC(C)(C)OO)OO

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 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
SCHEMBL8855099 1.00 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL8788695 0.83
SCHEMBL8788693 0.83
SCHEMBL374799 0.79
SCHEMBL12726609 0.73 TSHR (0.32) ALDH1A1TSHR
SCHEMBL12726626 0.69 MAPK1 (0.33)
Tert-Butyl Hydroperoxide SCHEMBL788774 0.65 ALDH1A1 (1.00) ALDH1A1TSHR
Tert-Butyl Hydroperoxide SCHEMBL20212 0.65
Tert-Butyl Hydroperoxide SCHEMBL8377296 0.65 ALDH1A1 (1.00) ALDH1A1TSHR
Hydrogen Peroxide SCHEMBL19179299 0.65 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856586-A REACTING 2,5-DIMETHYL-1,5-HEXADIENE WITH HYDROGEN PEROXIDE IN ACIDICC MEDIUM PEROXID-CHEMIE GMBH (DE) 1999-01-05 US disclosed
US-5652290-A Thermally conductive silicone rubber compositions with low permanent compression strain ratios DOW CORNING TORAY SILICONE CO., LTD. (JP) 1997-07-29 US disclosed
US-5210320-A Reacting dimethylhexanediol with hydrogen peroxide and sulfuric acid and alcohol PHILLIPS PETROLEUM COMPANY (US) 1993-05-11 US disclosed
US-5104920-A FLAME RETARDANT COMPOSITIONS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-04-14 US disclosed
US-4952428-A Flame retardant compositions UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-08-28 US disclosed
US-4101395-A LAMINATED ION EXCHANGE POLYMER TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1978-07-18 US disclosed
US-4045463-A POLYMERIZABLE MONOMERS OR FREE RADICAL INITIATORS NIPPON OIL AND FATS CO., LTD. (JA) 1977-08-30 US disclosed