SCHEMBL8832247

SCHEMBL8832247

C=C(O[Si](C)(C)C)N(CC#N)[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36

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
SCHEMBL9549520 0.67 CYP1A2 (0.37) CYP1A2
SCHEMBL153343 0.62
SCHEMBL152842 0.59 CYP1A2 (0.36) CYP1A2
SCHEMBL150500 0.59 CYP1A2 (0.36) CYP1A2
SCHEMBL29128778 0.56
SCHEMBL10890231 0.56 TDP1 (0.33)
SCHEMBL7568314 0.56 MCL1 (0.39)
SCHEMBL2031577 0.56
SCHEMBL147872 0.54
SCHEMBL347747 0.54

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-5633356-A RADIOACTIVE INTERMEDIATE METABOLITE FOR USE IN DIAGNOSTIC TESTING KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-27 US disclosed
US-5623063-A USING CARBON ISOTOPE-LABELLED GLUCOSE AS STARTING MATERIAL KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-04-22 US disclosed
US-5618734-A USING A LABELLED CARBON COMPOUND AS AN INTERNAL STANDARD; USEFUL IN DIAGNOSING DIABETES AND KIDNEY DISEASES KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-04-08 US disclosed
EP-0645625-A1 3-Deoxyglucosone derivatives and method for determining the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-03-29 EP disclosed