SCHEMBL1491883

SCHEMBL1491883

C=C(C)C(=O)OCC[N+](C)(C)CCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
HTT P42858 2/20 0.48
DNM1 Q05193 7/20 0.47
THRB P10828 1/20 0.46
ACHE P22303 3/20 0.44
RAD52 P43351 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL1476522 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
Hydrochloric Acid SCHEMBL1547473 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
Hydrochloric Acid SCHEMBL5381892 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
SCHEMBL4931019 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
SCHEMBL1476825 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
Hydrochloric Acid SCHEMBL3628096 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
Hydrochloric Acid SCHEMBL8192652 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
SCHEMBL11961430 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
SCHEMBL3694453 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE
Hydrochloric Acid SCHEMBL28573008 1.00 TSHR (0.67) TSHRHTTDNM1THRBACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715392-B2 Catalyzed CO2-transport membrane on high surface area inorganic support BATTELLE MEMORIAL INSTITUTE (US) 2014-05-06 US disclosed
WO-2011059616-A1 CATALYZED CO2-TRANSPORT MEMBRANE ON HIGH SURFACE AREA INORGANIC SUPPORT BATTELLE MEMORIAL INSTITUTE (US) 2011-05-19 WO disclosed
US-20110052466-A1 CATALYZED CO2-TRANSPORT MEMBRANE ON HIGH SURFACE AREA INORGANIC SUPPORT BATTELLE MEMORIAL INSTITUTE 2011-03-03 US disclosed