SCHEMBL70290

SCHEMBL70290

COC(OCc1ccccc1)OC(OC)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
RCE1 Q9Y256 1/20 0.43
IDO1 P14902 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 3/20 0.40
AGXT P21549 1/20 0.40
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL19223076 0.91 TSHR (0.48) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL8079929 0.87 TSHR (0.52) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL14365841 0.85 RCE1 (0.42) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL28454550 0.84 TSHR (0.41) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL6774650 0.82 TSHR (0.57) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL4236137 0.82 RCE1 (0.45) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL20442605 0.81 RCE1 (0.39) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL3701482 0.78 TSHR (0.48) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL29042671 0.77 CA1 (0.40) TSHRRCE1SLC1A3SLC1A2SLC1A1
SCHEMBL683166 0.77 RCE1 (0.47) TSHRRCE1IDO1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705124-A A kind of labeled with radioactive fluorine Larotrectinib compound and preparation method thereof 上海健康医学院 2019-05-03 CN claimed
CN-104725628-B A kind of single functionalization branched polyethylene glycol, preparation method and its bio-related substance containing degradable group 厦门赛诺邦格生物科技股份有限公司 2018-04-17 CN claimed
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
CN-104109235-B A kind of single functionalized poly (ethylene glycol), preparation method and its bio-related substance with nitrogen-atoms branch centers 厦门赛诺邦格生物科技股份有限公司 2017-07-18 CN claimed
WO-2015000825-A1 COMPOUNDS WITH ANTIBACTERIAL ACTIVITY FUNDACIÓN MEDINA. CENTRO DE EXCELENCIA EN INVESTIGACIÓN DE MEDICAMENTOS INNOVADORES EN ANDALUCÍA (ES) 2015-01-08 WO claimed
WO-2014154908-A1 SELECTIVE ALKYLATION OF CYCLOPENTYL ALCOHOLS CHEMO RESEARCH, S.L. (ES) 2014-10-02 WO claimed
WO-2024083861-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF SELABTEC SCIENCES, SLU (ES) 2024-04-25 WO disclosed
EP-3897668-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
EP-3873534-A1 CYSTEINE ENGINEERED ANTIBODY-DRUG CONJUGATES WITH PEPTIDE-CONTAINING LINKERS Mersana Therapeutics, Inc. (US) 2021-09-08 EP disclosed
WO-2021086753-A1 AMORPHOUS SOLID SUCCINYLATED 3-(FATTY ACID AMIDO)-2-HYDROXY-1-(PROTECTED HYDROXY)-PROPANE SALTS AND METHODS OF MAKING THE SAME GERON CORPORATION (US) 2021-05-06 WO disclosed
EP-3813832-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER Fundació Hospital Universitari Vall d'Hebron - Institut de Recerca (ES) 2021-05-05 EP disclosed
WO-2020229470-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF ELDECALCITOL FAES FARMA, S.A. (ES) 2020-11-19 WO disclosed
WO-2004050711-A2 GP120 SPECIFIC ANTIGENS, CONJUGATES THEREOF, METHODS FOR THEIR PREPARATION AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-06-17 WO disclosed
WO-2004009082-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE THE GENERAL HOSPITAL CORPORATION (US) 2004-01-29 WO disclosed
WO-2004001018-A2 VACUOLINS THE CENTER FOR BLOOD RESEARCH, INC. (US) 2003-12-31 WO disclosed
WO-2003106405-A1 ASPARTYL PROTEASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2003-12-24 WO disclosed
WO-2003076424-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO. LTD. (JP) 2003-09-18 WO disclosed
WO-2003069350-A2 SMALL MOLECULE MODULATORS OF APOPTOSIS SUNESIS PHARMACEUTICALS, INC. (US) 2003-08-21 WO disclosed
WO-2003059898-A2 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-24 WO disclosed