SCHEMBL5331260

SCHEMBL5331260

C1=CC(C2CCCCC2)(C2CCCCC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL8648641 0.98 TMEM97 (0.37) TMEM97CHRM2CHRM4CHRM5CHRM1
SCHEMBL15265879 0.94 CHRM2 (0.36) TMEM97CHRM2CHRM4CHRM5CHRM1
SCHEMBL6290097 0.70 CHRM3 (0.31) TMEM97CHRM3
SCHEMBL6294598 0.70 CHRM3 (0.31) TMEM97CHRM3
SCHEMBL5897555 0.69 HTR2A (0.32) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL6294617 0.67 CHRM3 (0.30) CHRM2CHRM4CHRM5CHRM1DRD2
Hydrochloric Acid SCHEMBL438152 0.67 TMEM97 (0.33) TMEM97
SCHEMBL24505981 0.67 OXTR (0.48)
SCHEMBL3814924 0.66 OXTR (0.47)
SCHEMBL3815446 0.66 OXTR (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053474-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN claimed
WO-2007088559-A1 PROCESS FOR PRODUCING SUBSTITUTED SULPHOXIDES JUBILANT ORGANOSYS LIMITED (IN) 2007-08-09 WO claimed
CN-109053470-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN disclosed
CN-109053474-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN disclosed
CN-109053470-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN disclosed
CN-109053474-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN disclosed
US-10131928-B2 Inositol biotransformation UNIVERSITY COURT OF THE UIVERSITY OF ST ANDREWS (GB) 2018-11-20 US disclosed
US-20160168607-A1 Inositol Biotransformation UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-06-16 US disclosed
EP-3017055-A1 INOSITOL BIOTRANSFORMATION University Court of The University of St Andrews (GB) 2016-05-11 EP disclosed
WO-2015001312-A1 INOSITOL BIOTRANSFORMATION UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2015-01-08 WO disclosed
WO-2007088559-A1 PROCESS FOR PRODUCING SUBSTITUTED SULPHOXIDES JUBILANT ORGANOSYS LIMITED (IN) 2007-08-09 WO disclosed
CN-1328103-A Trigger used for anaerobic adhesive and its anaerobic adhesive GUANGZHOU INST OF CHEMISTRY (CN) 2001-12-26 CN disclosed
US-6232486-B1 PHOSPHATIDYLINOSITOL PHOSPHATE NUTRIMED BIOTECH 2001-05-15 US disclosed
US-5837777-A CATALYTIC ADDITION POLMERIZATION OF ACRYLATE MONOMER, REACTION WITH OTHER MONOMERS FOR MOLDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1998-11-17 US disclosed
WO-1993007119-A1 NOVEL ANTIMALARIAL PEROXIDES AND PROCESSES FOR THEIR PRODUCTION AND USE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-04-15 WO disclosed
US-4515722-A Phosphatidyl inositol analogs useful as anti-inflammatory/analgesic agents MERCK & CO., INC. (US) 1985-05-07 US disclosed
US-4474806-A Sulfonyl or carbonyl inositol derivatives useful as anti-inflammatory/analgesic agents MERCK & CO., INC. (US) 1984-10-02 US disclosed
US-4183863-A SELENIUM OXIDATION CATALYST UNION CARBIDE CORPORATION (US) 1980-01-15 US disclosed
US-4160769-A HYDROGEN PEROXIDE, SELENIUM COMPOUND CATALYST UNION CARBIDE CORPORATION (US) 1979-07-10 US disclosed
US-4156078-A Process for the synthesis of 3',4'-dideoxykanamycin B and products ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1979-05-22 US disclosed