SCHEMBL9718351

SCHEMBL9718351

CC(C)(C)OOC#COOC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2587475 0.72
SCHEMBL29421629 0.72
SCHEMBL27372650 0.72
SCHEMBL81688 0.72
SCHEMBL14861 0.69 TDP1 (1.00) TSHRTDP1ALDH1A1
SCHEMBL28236221 0.69 TDP1 (1.00) TSHRTDP1ALDH1A1
SCHEMBL9718311 0.67 TSHR (0.43) TSHRTDP1ALDH1A1
Hydrochloric Acid SCHEMBL25381110 0.65 TSHR (0.89) TSHRTDP1ALDH1A1
SCHEMBL7526385 0.65 TSHR (0.89) TSHRTDP1ALDH1A1
Methane SCHEMBL3208996 0.65 TSHR (0.89) TSHRTDP1ALDH1A1

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
CN-104119630-A High-performance polypropylene compatilizer and preparation method thereof HUIZHOU CHANGYI NEW MATERIAL CO LTD 2014-10-29 CN claimed
CN-104119630-A High-performance polypropylene compatilizer and preparation method thereof HUIZHOU CHANGYI NEW MATERIAL CO LTD 2014-10-29 CN disclosed
EP-0223085-B1 ACETYLENIC DI (T-AMYL PEROXIDE) CROSS-LINKING/BLOWING AGENTS FOR POLYETHYLENE Witco Corporation (US) 1992-03-11 EP disclosed
EP-0223085-A2 Acetylenic di (t-amyl peroxide) cross-linking/blowing agents for polyethylene Witco Corporation (US) 1987-05-27 EP disclosed
US-4617324-A DIALKYLPEROXY ACETYLENE DERIVATIVES U.S. PEROXYGEN COMPANY (US) 1986-10-14 US disclosed