SCHEMBL9499335

SCHEMBL9499335

CCN=C=NCCC(N)(OC)OC

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL27481863 0.98 CYP1A2 (0.37) CYP1A2CYP2D6
SCHEMBL7878 0.81 CYP1A2 (0.42) CYP1A2CYP2D6
SCHEMBL28862327 0.79 CYP1A2 (0.41) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL221473 0.79 CYP1A2 (0.41) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL20817034 0.79 CYP1A2 (0.41) CYP1A2CYP2D6
Water SCHEMBL27520041 0.79 CYP1A2 (0.41) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28158071 0.78 CYP1A2 (0.39) CYP1A2CYP2D6
Carbimide SCHEMBL27821215 0.76 CYP1A2 (0.38) CYP1A2CYP2D6
SCHEMBL4648931 0.75 CYP1A2 (0.41) CYP1A2CYP2D6
Methylene Chloride SCHEMBL28221251 0.74 CYP1A2 (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313666-B1 METHOD FOR IMMUNOASSAY UTILIZING LIPOSOME AND KIT THEREFOR TEIJIN LIMITED (JP) 1993-04-21 EP disclosed
US-5173406-A LIPOSOME IMMUNOASSAY METHOD AND KIT THEREFOR TEIJIN LIMITED (JP) 1992-12-22 US disclosed
EP-0313666-A1 METHOD FOR IMMUNOASSAY UTILIZING LIPOSOME AND KIT THEREFOR TEIJIN LIMITED (JP) 1989-05-03 EP disclosed