SCHEMBL5498260

SCHEMBL5498260

CC(=O)OOC(C)(C)C.CC(C)C(=O)OOC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4367325 0.96 TSHR (0.34) TSHRALDH1A1HSD17B10TDP1
SCHEMBL21417 0.91 TSHR (0.39) TSHRALDH1A1HSD17B10TDP1
SCHEMBL24499 0.83
SCHEMBL6841429 0.82
Ethaneperoxoic Acid SCHEMBL8898688 0.81 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10TDP1
SCHEMBL18419990 0.81 TSHR (0.42) TSHRALDH1A1HSD17B10TDP1
Methane SCHEMBL25208404 0.81 ALDH1A1 (0.41) TSHRALDH1A1HSD17B10TDP1
Hydrogen Peroxide SCHEMBL6657321 0.81 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10TDP1
SCHEMBL31516123 0.81 ALDH1A1 (0.33) TSHRALDH1A1HSD17B10TDP1
Decane SCHEMBL12471611 0.78 MAPT (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208548-B2 Crosslinkable rubber compositions and uses thereof MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
EP-1088855-B1 CROSSLINKABLE RUBBER COMPOSITION AND USE THEREOF MITSUI CHEMICALS INC (JP) 2007-02-28 EP disclosed
US-20050154132-A1 Crosslinkable rubber compositions and uses thereof MITSUI CHEMICALS, INC. (JP) 2005-07-14 US disclosed
US-6864315-B1 Crosslinkable rubber compositions and use thereof MITSUI CHEMICALS, INC. (JP) 2005-03-08 US disclosed
EP-1088855-A1 CROSSLINKABLE RUBBER COMPOSITION AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2001-04-04 EP disclosed