SCHEMBL983528

SCHEMBL983528

CCc1c(O)ccc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.41
ESR2 Q92731 9/20 0.41
TRPA1 O75762 2/20 0.41
ATM Q13315 1/20 0.41
AR P10275 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN5A Q14524 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL648577 0.85 ESR1 (0.47) ESR1ESR2TRPA1ATMAR
SCHEMBL21981883 0.83 ESR1 (0.40) ESR1ESR2TRPA1ARKDM4E
SCHEMBL8827947 0.83 ESR1 (0.43) ESR1ESR2TRPA1ATMAR
SCHEMBL980079 0.82 CNR1 (0.41) ESR1ESR2TRPA1ATMAR
SCHEMBL30945836 0.82 CNR1 (0.41) ESR1ESR2TRPA1ATMAR
SCHEMBL71053 0.81 ESR1 (0.43) ESR1ESR2TRPA1ARKDM4E
SCHEMBL2321269 0.81 HTR1D (0.46) ESR1ESR2TRPA1ATMAR
SCHEMBL4878065 0.81 TRPA1 (0.41) ESR1ESR2TRPA1ATMAR
SCHEMBL983815 0.80 HPGD (0.48) ESR1ESR2TRPA1ATMAR
SCHEMBL30945773 0.80 HPGD (0.48) ESR1ESR2TRPA1ATMAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416248-A1 ANTIFOULING AGENTS FOR PLASTIC-DERIVED SYNTHETIC FEEDSTOCKS ECOLAB USA INC. (US) 2024-08-21 EP claimed
CN-118339260-A Scale inhibitor for plastics-derived synthetic raw materials 埃科莱布美国股份有限公司 2024-07-12 CN claimed
US-12031097-B2 Antifouling agents for plastic-derived synthetic feedstocks ECOLAB USA INC. (US) 2024-07-09 US claimed
EP-4314126-A1 EXTRACTION SOLVENTS FOR PLASTIC-DERIVED SYNTHETIC FEEDSTOCK ECOLAB USA INC. (US) 2024-02-07 EP claimed
CN-116997602-A Extraction solvent for plastic derived synthetic raw materials 埃科莱布美国股份有限公司 2023-11-03 CN claimed
US-20230120367-A1 ANTIFOULING AGENTS FOR PLASTIC-DERIVED SYNTHETIC FEEDSTOCKS ECOLAB USA INC. (US) 2023-04-20 US claimed
WO-2023064375-A1 ANTIFOULING AGENTS FOR PLASTIC-DERIVED SYNTHETIC FEEDSTOCKS ECOLAB USA INC. (US) 2023-04-20 WO claimed
US-20220315841-A1 EXTRACTION SOLVENTS FOR PLASTIC-DERIVED SYNTHETIC FEEDSTOCK ECOLAB USA INC. (US) 2022-10-06 US claimed
WO-2022212502-A1 EXTRACTION SOLVENTS FOR PLASTIC-DERIVED SYNTHETIC FEEDSTOCK ECOLAB USA INC. (US) 2022-10-06 WO claimed
CN-104010505-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-08-27 CN claimed
CN-102633745-A Alpha-methoxy imino group-4-methyl-1, 2, 3-thiadiazole-5-methyl carboxylic ester derivatives and preparation method and application thereof UNIV NANKAI 2012-08-15 CN claimed
CN-102633747-A 5-methyl-1, 2, 3-thiadiazole bishydrazide derivatives as well as preparation method and application thereof UNIV NANKAI 2012-08-15 CN claimed
CN-102633744-A 3-(4-methyl-1, 2, 3-thiadiazole-5-yl)-1, 5-diketone derivatives as well as preparation method and application thereof UNIV NANKAI 2012-08-15 CN claimed
CN-102633746-A Di-hydrazide derivatives containing 5-methyl-1, 2, 3-thiadizole and preparation method and application of di-hydrazide derivatives containing 5-methyl-1, 2, 3-thiadizole UNIV NANKAI 2012-08-15 CN claimed
CN-102603669-A Derivatives of alpha-methoxyl imino-5-methyl-1,2,3-thiadiazole-4- carboxylic acid methyl ester and preparation methods and uses thereof UNIV NANKAI 2012-07-25 CN claimed
CN-102603670-A 4-(4-methyl-1,2,3-thiadiazole-5-base)-3-alkene-2-ketone ramifications, and preparation method and application thereof UNIV NANKAI 2012-07-25 CN claimed
CN-102585197-A Method for addition of epoxide, and use of alkali metal and salts thereof for method LIAONING KELONG FINE CHEMICAL CO LTD 2012-07-18 CN claimed
CN-102432563-A Dihydrazide compounds containing 4-methyl-1,2,3-thiadiazole group, and preparation method and application of dihydrazide compounds UNIV NANKAI 2012-05-02 CN claimed
CN-102417505-A Tetrazole compounds containing methyl-1,2,3-thiadiazole as well as preparation methods and application thereof UNIV NANKAI 2012-04-18 CN claimed
CN-102382108-A Tetrazole compounds containing 1,2,3-bismuththiol methylene, preparation methods for same and application thereof UNIV NANKAI 2012-03-21 CN claimed