SCHEMBL2310653

SCHEMBL2310653

O=C=NCCCCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
CYP1A2 P05177 1/20 0.43
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4A O75164 1/20 0.35
CEL P19835 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL28528633 0.98 SIGMAR1 (0.48) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL28521877 0.98 SIGMAR1 (0.48) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL9088702 0.98 SIGMAR1 (0.48) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL28555544 0.98 SIGMAR1 (0.48) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL10445994 0.98 SIGMAR1 (0.42) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL20798645 0.94 CYP1A2 (0.45) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL3462014 0.94 CYP1A2 (0.45) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL19969578 0.94 CYP1A2 (0.45) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL19853228 0.94 CYP1A2 (0.45) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1
SCHEMBL19849589 0.94 CYP1A2 (0.45) SIGMAR1CYP1A2KEAP1NFE2L2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117466-B Low-burning-rate high-energy butylated hydroxytoluene propellant and application of alicyclic diisocyanate 湖北航天化学技术研究所 2021-02-09 CN claimed
CN-108129248-B Method for solving post-curing problem of room-temperature cured butyl hydroxyl propellant and prepared product 湖北航天化学技术研究所 2020-12-22 CN claimed
CN-117004301-A Solvent-borne coating composition suitable for forming a coating on three-piece food or beverage cans 广东华润涂料有限公司 2023-11-07 CN disclosed
CN-116368203-A Process for preparing aqueous titanium dioxide slurries, slurries produced thereby and coating compositions containing same 巴斯夫涂料有限公司 2023-06-30 CN disclosed
CN-116323823-A Aqueous low solids basecoat compositions 巴斯夫涂料有限公司 2023-06-23 CN disclosed
CN-116113673-A Low reflectivity dual cure adhesive composition 汉高股份有限及两合公司 2023-05-12 CN disclosed
CN-114929590-A Packaging coating system SWIMC有限公司 2022-08-19 CN disclosed
CN-107207689-B Polymers, coating compositions, coated articles, and methods related thereto 宣伟投资管理有限公司 2021-09-24 CN disclosed
CN-109476806-B Hybrid system for producing an aqueous repair coating, production method and aqueous repair coating produced from said hybrid system 巴斯夫涂料有限公司 2021-03-30 CN disclosed
CN-108117466-B Low-burning-rate high-energy butylated hydroxytoluene propellant and application of alicyclic diisocyanate 湖北航天化学技术研究所 2021-02-09 CN disclosed
CN-109476136-B Aqueous dispersions comprising polymers prepared in stages with polyurethanes and coating compositions comprising them 巴斯夫涂料有限公司 2021-01-29 CN disclosed
WO-2004108844-A2 DUAL RADIATION/THERMAL CURED COATING COMPOSITION BASF CORPORATION (US) 2004-12-16 WO disclosed
WO-2004093872-A1 3-OXO-1, 3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
WO-2004094394-A1 BENZISOTHIAZOL-3-ONE-CARBOXYLIC ACID AMIDES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
EP-1421147-A2 DUAL CURE COATING COMPOSITION AND PROCESSES FOR USING THE SAME BASF CORPORATION (US) 2004-05-26 EP disclosed
US-20030207956-A1 Dual radiation/thermal cured coating composition BASF CORPORATION 2003-11-06 US disclosed
WO-2003068878-A2 DUAL CURE COATING COMPOSITION AND PROCESSES FOR USING THE SAME BASF CORPORATION (US) 2003-08-21 WO disclosed
US-20030083397-A1 Dual cure coating composition and process for using the same BASF CORPORATION 2003-05-01 US disclosed
US-20030078316-A1 Dual cure coating composition and processes for using the same BASF CORPORATION 2003-04-24 US disclosed
US-20030078315-A1 Dual cure coating composition and processes for using the same BASF CORPORATION 2003-04-24 US disclosed