SCHEMBL8775662

SCHEMBL8775662

CCCCCCCC(F)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
CYP1A2 P05177 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 7/20 0.38
EPHX2 P34913 1/20 0.38

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
Dimethylamine SCHEMBL9836630 0.94 SIGMAR1 (0.39) SIGMAR1TSHREPHX1EPHX2
SCHEMBL28488917 0.92 SHBG (0.43) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL7888229 0.90 SHBG (0.39) SHBGCYP1A2SIGMAR1TSHR
SCHEMBL8775091 0.83 SHBG (0.46) SHBGCYP1A2MAPTEPHX1
SCHEMBL11440474 0.79 EPHX1 (0.43) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL2593250 0.79 EPHX1 (0.43) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL10929841 0.79 EPHX1 (0.43) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL11675599 0.79 SHBG (0.43) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL11440912 0.79 EPHX1 (0.43) SHBGCYP1A2SIGMAR1TSHREPHX1
SCHEMBL8011138 0.79 SHBG (0.43) SHBGCYP1A2SIGMAR1TSHREPHX1

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
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-1995028146-A1 FLUOROCHEMICAL EMULSIONS CONTAINING 1,3-DIALKYLGLYCEROPHOSPHORYL CHOLINE SURFACTANTS AND METHODS OF USE HEMAGEN/PFC (US) 1995-10-26 WO disclosed