SCHEMBL679828

SCHEMBL679828

Cc1cccc(O)c1CCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ATM Q13315 1/20 0.42
AKT1 P31749 1/20 0.38
ALDH1A1 P00352 2/20 0.37
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
P2RX7 Q99572 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL29180390 0.93 TRPA1 (0.39) TRPA1ATMAKT1ALDH1A1OPRM1
SCHEMBL11574798 0.90 AKT1 (0.40) TRPA1ATMAKT1ALDH1A1OPRM1
SCHEMBL1402309 0.83 HIF1A (0.39) TRPA1ATMAKT1ALDH1A1OPRM1
SCHEMBL1402250 0.83 HIF1A (0.39) TRPA1ATMAKT1ALDH1A1OPRM1
Methoxymethane SCHEMBL10934572 0.80 TRPA1 (0.37) TRPA1ATMALDH1A1KDM4ELMNA
SCHEMBL3951477 0.79 GABRA1 (0.47) TRPA1ATMALDH1A1GABRA1GABRB2
SCHEMBL60291 0.79 HTT (0.48) TRPA1ATMALDH1A1KDM4EMAPT
SCHEMBL29444193 0.79 HTT (0.48) TRPA1ATMALDH1A1KDM4EMAPT
SCHEMBL9580544 0.79 TRPA1 (0.46) TRPA1ATMALDH1A1GABRA1GABRB2
SCHEMBL11635259 0.78 P4HB (0.35) AKT1ALDH1A1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129206-A1 POLYESTER-BASED PLASTICIZER, VINYL CHLORIDE-BASED RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE THEREOF ADEKA CORPORATION (JP) 2025-04-24 US disclosed
EP-4397690-A1 POLYESTER-BASED PLASTICIZER, VINYL CHLORIDE-BASED RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE THEREOF ADEKA CORPORATION (JP) 2024-07-10 EP disclosed
CN-117897428-A Polyester plasticizer, vinyl chloride resin composition containing same, and molded article thereof 株式会社ADEKA 2024-04-16 CN disclosed
WO-2023032862-A1 POLYESTER-BASED PLASTICIZER, VINYL CHLORIDE-BASED RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE THEREOF 株式会社ADEKA 2023-03-09 WO disclosed
EP-2599830-B2 VINYL-CHLORIDE-BASED RESIN COMPOSITION FOR TRANSPARENT PRODUCT ADEKA CORP (JP) 2022-09-28 EP disclosed
WO-2022118751-A1 AMINE RESISTANCE IMPARTING AGENT FOR VINYL CHLORIDE RESIN 株式会社ADEKA 2022-06-09 WO disclosed
CN-113227322-A Stabilizer composition, vinyl chloride resin composition containing same, and molded article thereof 株式会社ADEKA 2021-08-06 CN disclosed
EP-2676997-B2 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORP (JP) 2021-03-17 EP disclosed
EP-3275933-B1 VINYL CHLORIDE-BASED RESIN COMPOSITION ADEKA CORP (JP) 2020-10-14 EP disclosed
CN-111684042-A Stabilizer composition, vinyl chloride resin composition containing same, and molded article thereof 株式会社ADEKA 2020-09-18 CN disclosed
US-4282141-A DISCOLORATION INHIBITION FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-08-04 US disclosed
EP-0028268-A1 Stabilizer composition comprising a thio-1,3-dicarbonyl compound and a heat stabilizer, and vinyl halide polymer composition stabilized therewith S.A. Diamond Shamrock Benelux N.V. (BE) 1981-05-13 EP disclosed
US-4252698-A A OVERBASED SULFONATE OR PHENOLATE, AND A 1,3-DIKETONE FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-02-24 US disclosed
US-4244848-A HEAT RESISTANT STABILIZERS COMPRISING AT LEAST ONE ZINC, DIALKYLTIN, ALKALI METAL OR ALKALINE EARTH METAL ORGANIC PHOSPHATE ESTER SALT AND AT LEAST ONE B-DIKETONE ARGUS CHEMICAL CORPORATION (US) 1981-01-13 US disclosed
US-4224218-A Stabilized vinyl chloride polymer comprising a metal mono-organic phosphite ARGUS CHEMICAL CORPORATION (US) 1980-09-23 US disclosed
US-4224203-A Vinyl chloride polymer stabilizer comprising a metal organophosphonate ARGUS CHEMICAL CORPORATION (US) 1980-09-23 US disclosed
US-4221687-A BASIC INORGANIC SALT, 1,3-DIKETONE, VINYL CHLORIDE POLYMER ARGUS CHEMICAL CORP. (US) 1980-09-09 US disclosed
US-4217258-A THIOCARBONYL COMPOUND, ALKYLTIN COMPOUND, METAL CARBOXYLATE, HYDROCARBYLPHENOL ARGUS CHEMICAL CORP. (US) 1980-08-12 US disclosed
US-4134868-A Aromatic carboxylic acid ester stabilizers for PVC resins ARGUS CHEMICAL CORPORATION (US) 1979-01-16 US disclosed
US-4105627-A MERCAPTOHETEROCYCLIC RESIN STABILIZERS ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US disclosed