SCHEMBL197464

SCHEMBL197464

C=Cc1ccc(O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
TP53 P04637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PDE10A Q9Y233 1/20 0.46
BACE1 P56817 1/20 0.46
ESR1 P03372 8/20 0.45
ESR2 Q92731 6/20 0.45
ALDH1A1 P00352 2/20 0.43
AR P10275 3/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL30214361 1.00 TRPA1 (0.57) TRPA1TP53TDP1PDE10ABACE1
Ethylene Glycol SCHEMBL7334630 0.92 TRPA1 (0.50) TRPA1TP53TDP1PDE10ABACE1
SCHEMBL196749 0.82 TRPA1 (0.52) TRPA1TP53TDP1ESR1ESR2
SCHEMBL29505021 0.82 TRPA1 (0.52) TRPA1TP53TDP1ESR1ESR2
SCHEMBL1824386 0.81 LCK (0.61) TP53TDP1PDE10ABACE1ESR1
SCHEMBL1824384 0.81 LCK (0.61) TP53TDP1PDE10ABACE1ESR1
SCHEMBL13871125 0.79 ESR1 (0.69) TRPA1TP53TDP1PDE10ABACE1
SCHEMBL27777637 0.79 TP53 (0.52) TP53TDP1PDE10ABACE1ESR1
SCHEMBL29407001 0.78 ALDH1A1 (0.50) TRPA1TP53TDP1ESR1ESR2
SCHEMBL293173 0.78 ALDH1A1 (0.50) TRPA1TP53TDP1ESR1ESR2

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 1143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000168-A1 METHOD FOR PREPARING FLAVORFUL COMPOUNDS ISOLATED FROM BLACK LIQUOR AND PRODUCTS INCORPORATING THE FLAVORFUL COMPOUNDS REYNOLDS TOBACCO CO R (US) 2022-01-06 US claimed
US-11154087-B2 Method for preparing flavorful compounds isolated from black liquor and products incorporating the flavorful compounds R.J. REYNOLDS TOBACCO COMPANY (US) 2021-10-26 US claimed
EP-2016464-B1 NEGATIVE PHOTORESIST COMPOSITIONS MERCK PATENT GMBH (DE) 2021-04-28 EP claimed
WO-2017134586-A1 METHOD FOR PREPARING FLAVORFUL COMPOUNDS ISOLATED FROM BLACK LIQUOR AND PRODUCTS INCORPORATING THE FLAVORFUL COMPOUNDS R. J. REYNOLDS TOBACCO COMPANY (US) 2017-08-10 WO claimed
US-20170215471-A1 METHOD FOR PREPARING FLAVORFUL COMPOUNDS ISOLATED FROM BLACK LIQUOR AND PRODUCTS INCORPORATING THE FLAVORFUL COMPOUNDS R.J. REYNOLDS TOBACCO COMPANY 2017-08-03 US claimed
CN-102736411-B Photosensitive resin composition, and color filter and liquid crystal display device using same CHI MEI CORP. (CN) 2014-10-15 CN claimed
US-8822619-B1 Directed self assembly copolymer composition and related methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2014-09-02 US claimed
US-20140227445-A1 Directed self assembly copolymer composition and related methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2014-08-14 US claimed
CN-103980648-A Directed self assembly copolymer composition and related methods DOW GLOBAL TECHNOLOGIES LLC 2014-08-13 CN claimed
US-8603962-B2 Methods for treating fabric in a dryer with a composition comprising silicic acid esters THE DIAL CORPORATION (US) 2013-12-10 US claimed
WO-1996019429-A1 PROCESS FOR PREPARING 4-HYDROXYSTYRENE HOECHST CELANESE CORPORATION (US) 1996-06-27 WO claimed
US-5493062-A Process for preparing 4-hydroxystyrene HOECHST CELANESE CORPORATION (US) 1996-02-20 US claimed
US-5364734-A Sulfonated triazines HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US claimed
US-5346804-A Acid-cleavable radiation-sensitive compounds, positive working radiation-sensitive mixture containing theses compounds, and radiation-sensitive recording material produced with this mixture HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-13 US claimed
US-5314786-A Positive-working radiation sensitive mixture comprising sulfonic acid esters of 2,4,6-tris-(2-hydroxyethoxy)-[1,3,5]triazine, and recording material containing these esters HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-24 US claimed
US-5273856-A Including an alkali-soluble resin and a diazoquinone dissolution inhibitor decomposing on exposure to mid or near UV radiation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-12-28 US claimed
US-5256517-A Positive-working radiation-sensitive mixture and recording material for exposure to UV radiation containing polyfunctional compound having α-β-keto ester units and sulfonate units HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-26 US claimed
EP-0558480-A1 CONTRAST ENHANCEMENT OF NON-AMPLIFIED ALKALI DEVELOPABLE PHOTORESISTS International Business Machines Corporation (US) 1993-09-08 EP claimed
WO-1992008166-A1 CONTRAST ENHANCEMENT OF NON-AMPLIFIED ALKALI DEVELOPABLE PHOTORESISTS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1992-05-14 WO claimed
US-4039630-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US claimed