SCHEMBL2170478

SCHEMBL2170478

CC(C=CCO)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.53
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
ADRA2C P18825 2/20 0.42
ADRA2A P08913 1/20 0.42
HIF1A Q16665 1/20 0.42
AOC3 Q16853 2/20 0.41
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
EIF4H Q15056 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL2170476 1.00 TRPA1 (0.53) TRPA1KDM4EALDH1A1LMNAADRA2C
SCHEMBL11001287 0.81 LMNA (0.40) TRPA1KDM4EALDH1A1LMNAAOC3
SCHEMBL691655 0.81 TRPA1 (0.47) TRPA1KDM4EALDH1A1LMNAADRA2C
SCHEMBL691654 0.81 TRPA1 (0.47) TRPA1KDM4EALDH1A1LMNAADRA2C
SCHEMBL11001286 0.81 LMNA (0.40) TRPA1KDM4EALDH1A1LMNAAOC3
SCHEMBL16167537 0.79 TRPA1 (0.44) TRPA1KDM4ELMNAADRA2CADRA2A
SCHEMBL16167538 0.79 TRPA1 (0.44) TRPA1KDM4ELMNAADRA2CADRA2A
SCHEMBL19752442 0.79 TRPA1 (0.44) TRPA1KDM4ELMNAADRA2CADRA2A
SCHEMBL6014436 0.79 TAAR1 (0.48) TRPA1KDM4EALDH1A1LMNAADRA2C
SCHEMBL6014433 0.79 TAAR1 (0.48) TRPA1KDM4EALDH1A1LMNAADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139714-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols-acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-09-22 US claimed
CN-102177164-B Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols/acroleins and use thereof CLARIANT FINANCE BVI LTD 2015-02-11 CN claimed
US-8614267-B2 Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-24 US claimed
EP-2352735-B1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP claimed
EP-2346885-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INT LTD (CH) 2013-08-28 EP claimed
CN-102186868-A Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols and use thereof CLARIANT INT LTD 2011-09-14 CN claimed
CN-102177164-A Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols/acroleins and use thereof CLARIANT FINANCE BVI LTD 2011-09-07 CN claimed
EP-2352735-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP claimed
EP-2346885-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF Clariant International Ltd. (CH) 2011-07-27 EP claimed
WO-2010051884-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO claimed
WO-2010051883-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO claimed
US-9139714-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols-acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-09-22 US disclosed
CN-102177164-B Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols/acroleins and use thereof CLARIANT FINANCE BVI LTD 2015-02-11 CN disclosed
CN-102186868-B Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols and use thereof CLARIANT INT LTD 2014-12-10 CN disclosed
US-8614267-B2 Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-24 US disclosed
EP-2346885-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF Clariant International Ltd. (CH) 2011-07-27 EP disclosed
WO-2010051884-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051883-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
US-4529813-A Preparation of 2-halogeno-3-alkylvinylcyclobutan-1-one BAYER AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed
US-4291176-A Production of insecticidally active vinyl-cyclopropane carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed