SCHEMBL2295082

SCHEMBL2295082

CCN=C=NCCCN(C)C.O=C1CCC(=O)N1S(=O)(=O)OO.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL490834 0.80 CYP1A2 (0.63) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1359562 0.79 CYP1A2 (0.61) CYP1A2CYP2D6
SCHEMBL29245298 0.77 CYP1A2 (0.55) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28414077 0.77 CYP1A2 (0.55) CYP1A2CYP2D6
SCHEMBL29245299 0.77 CYP1A2 (0.58) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28461388 0.76 CYP1A2 (0.56) CYP1A2CYP2D6
Sulfuric Acid SCHEMBL28801055 0.75 CYP1A2 (0.79) CYP1A2CYP2D6
SCHEMBL28246528 0.74 CYP1A2 (0.76) CYP1A2CYP2D6
SCHEMBL28687522 0.73 CYP1A2 (0.96) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28860357 0.72 CYP1A2 (0.73) CYP1A2CYP2D6

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
US-8226844-B2 Biocompatible magnetic nanocrystal, powder of a biocompatible magnetic nanocrystal bearing a surface reactive group and preparations thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2012-07-24 US disclosed
US-8017031-B2 Biocompatible magnetic nanocrystal, powder of a biocompatible magnetic nanocrystal bearing a surface reactive group and preparations thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2011-09-13 US disclosed
US-20110207894-A1 BIOCOMPATIBLE MAGNETIC NANOCRYSTAL, POWDER OF A BIOCOMPATIBLE MAGNETIC NANOCRYSTAL BEARING A SURFACE REACTIVE GROUP AND PREPARATIONS THEREOF INSTITUTE OF CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2011-08-25 US disclosed
US-20080203351-A1 paramagnetic or ferromagnetic crystals highly soluble and dispersible in buffers, bonded with a biocompatible macromolecule and an alkyl-containing molecule simultaneously, or a biocompatible macromolecule alone; storage stability INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2008-08-28 US disclosed