SCHEMBL8775663

SCHEMBL8775663

CCCCCCCCC1(F)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
CETP P11597 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CYP19A1 P11511 1/20 0.31
DNM1 Q05193 2/20 0.31
PTPN1 P18031 1/20 0.31
ACP1 P24666 1/20 0.31
CDC25B P30305 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL29088150 1.00 TSHR (0.36) TSHRTHRBSIRT2CETPCNR1
SCHEMBL31415322 1.00 TSHR (0.36) TSHRTHRBSIRT2CETPCNR1
SCHEMBL18394342 1.00 TSHR (0.36) TSHRTHRBSIRT2CETPCNR1
SCHEMBL8775093 0.91 CETP (0.32) CETP
SCHEMBL8652385 0.88 TSHR (0.42) TSHRTHRBSIRT2CYP19A1DNM1
SCHEMBL21033697 0.80
SCHEMBL15259314 0.78
SCHEMBL19074576 0.78
SCHEMBL25392317 0.76 TSHR (0.40) TSHRTHRBSIRT2CETPCNR1
SCHEMBL25392805 0.76 TSHR (0.40) TSHRTHRBSIRT2CETPCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794801-A1 PARAMAGNETIC COMPLEXES OF N-ALKYL-N-HYDROXYLAMIDES OF ORGANIC ACIDS AND EMULSIONS CONTAINING SAME FOR MAGNETIC RESONANCE IMAGING (MRI) HEMAGEN/PFC (US) 1997-09-17 EP disclosed
WO-1996016679-A1 PARAMAGNETIC COMPLEXES OF N-ALKYL-N-HYDROXYLAMIDES OF ORGANIC ACIDS AND EMULSIONS CONTAINING SAME FOR MAGNETIC RESONANCE IMAGING (MRI) HEMAGEN/PFC (US) 1996-06-06 WO disclosed
WO-1995033494-A1 EMULSIONS OF PARAMAGNETIC CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING (MRI), CONTAINING AN ORGANIC CHELATOR HAVING AN UNSATURATED ALIPHATIC GROUP HEMAGEN/PFC (US) 1995-12-14 WO disclosed
WO-1995028146-A1 FLUOROCHEMICAL EMULSIONS CONTAINING 1,3-DIALKYLGLYCEROPHOSPHORYL CHOLINE SURFACTANTS AND METHODS OF USE HEMAGEN/PFC (US) 1995-10-26 WO disclosed