SCHEMBL8580830

SCHEMBL8580830

CC(COO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
TRPA1 O75762 4/20 0.50
RIPK1 Q13546 1/20 0.50
AOC3 Q16853 2/20 0.47
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL3311945 0.88 ESR1 (0.41) TAAR1TRPA1RIPK1ALDH1A1
SCHEMBL19460546 0.84 HDAC4 (0.42) TAAR1TRPA1RIPK1KDM4EALDH1A1
SCHEMBL3632312 0.81 TAAR1 (0.56) TAAR1TRPA1RIPK1AOC3LMNA
SCHEMBL585216 0.81 TAAR1 (0.56) TAAR1TRPA1RIPK1AOC3LMNA
SCHEMBL13731158 0.80 ACHE (0.48) KDM4EALDH1A1
SCHEMBL8578308 0.80 ABCB11 (0.46) TAAR1TRPA1RIPK1ALDH1A1
SCHEMBL11758490 0.79 PTGS1 (0.56) LMNAALDH1A1
SCHEMBL2093765 0.79 TAAR1 (0.54) TAAR1TRPA1RIPK1AOC3ALDH1A1
SCHEMBL12282802 0.79 TAAR1 (0.54) TAAR1TRPA1RIPK1AOC3ALDH1A1
SCHEMBL1911097 0.79 TAAR1 (0.54) TAAR1TRPA1RIPK1AOC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102911101-B One-step method for production of di-(hydrogen peroxide isopropyl) benzene CHINA PETROLEUM & CHEMICAL 2014-04-02 CN claimed
CN-102911101-A One-step method for production of di-(hydrogen peroxide isopropyl) benzene CHINA PETROLEUM & CHEMICAL 2013-02-06 CN claimed
CN-102911014-A Di-(2-hydroxyl isopropyl) benzene production method CHINA PETROLEUM & CHEMICAL 2013-02-06 CN claimed
CN-102911099-A Di-(hydrogen peroxide isopropyl) benzene preparation method CHINA PETROLEUM & CHEMICAL 2013-02-06 CN claimed
CN-102911100-A Di-(hydrogen peroxide isopropyl) benzene preparation method CHINA PETROLEUM & CHEMICAL 2013-02-06 CN claimed
WO-2024023460-A1 COMPOSITION COMPRISING AT LEAST ONE SOLID ORGANIC PEROXIDE ARKEMA FRANCE (FR) 2024-02-01 WO disclosed
WO-2021058926-A1 SOLID ANHYDROUS COMPOSITION IN POWDER FORM COMPRISING AT LEAST ONE ORGANIC PEROXIDE, AT LEAST ONE PHLEGMATIZING AGENT AND AT LEAST ONE BINDER AND CORRESPONDING PREPARATION METHOD ARKEMA FRANCE (FR) 2021-04-01 WO disclosed
CN-102911015-B Di-(2-hydroxyl isopropyl) benzene production method CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed
CN-102911101-B One-step method for production of di-(hydrogen peroxide isopropyl) benzene CHINA PETROLEUM & CHEMICAL 2014-04-02 CN disclosed
CN-102911100-B Di-(hydrogen peroxide isopropyl) benzene preparation method CHINA PETROLEUM & CHEMICAL 2014-04-02 CN disclosed
CN-102911099-B Di-(hydrogen peroxide isopropyl) benzene preparation method CHINA PETROLEUM & CHEMICAL 2014-04-02 CN disclosed
CN-102911015-A Di-(2-hydroxyl isopropyl) benzene production method CHINA PETROLEUM & CHEMICAL 2013-02-06 CN disclosed
US-5770670-A ADDITION COPOLYMERIZATION MOLECULAR WEIGHT REGULATORS E.I. DUPONT DE NEMOURS & CO. (US) 1998-06-23 US disclosed
US-5708104-A MOLECULAR WEIGHT REGULATORS IN POLYMERIZATION REACTIONS E.I. DUPONT DE NEMOURS & CO. (US) 1998-01-13 US disclosed
EP-0500624-B1 ALLYL PEROXIDE CHAIN TRANSFER AGENTS AKZO NOBEL NV (NL) 1994-12-07 EP disclosed
EP-0322945-B1 Modification of (co)polymers employing organic peroxides AKZO NOBEL NV (NL) 1994-11-02 EP disclosed
US-5202386-A Adhesion to polar material AKZO NV (NL) 1993-04-13 US disclosed
EP-0500624-A1 ALLYL PEROXIDE CHAIN TRANSFER AGENTS. AKZO NV (NL) 1992-09-02 EP disclosed
US-5037892-A Epoxidation Of Olefin Polymers AKZO N.V. (NL) 1991-08-06 US disclosed
WO-1991007387-A1 ALLYL PEROXIDE CHAIN TRANSFER AGENTS AKZO N.V. (NL) 1991-05-30 WO disclosed