SCHEMBL9045833

SCHEMBL9045833

COC(OC)N1CCCN/C1=N/[N+](=O)[O-]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9045838 1.00
SCHEMBL9046408 0.91 CHRNB2 (0.33)
SCHEMBL9046412 0.91 CHRNB2 (0.33)
SCHEMBL9045860 0.85 CHRNB2 (0.30)
SCHEMBL9045865 0.85 CHRNB2 (0.30)
SCHEMBL9029902 0.75 CHRNB2 (0.33)
SCHEMBL9029895 0.75 CHRNB2 (0.33)
SCHEMBL11348502 0.74 CHRNB2 (0.35)
SCHEMBL11348506 0.74 CHRNB2 (0.35)
SCHEMBL9046327 0.73 CHRNB2 (0.36)

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-0455000-B1 Dialkoxymethylimidazolidine derivatives, preparation thereof, insecticides containing same as an effective ingredient and intermediates therefor MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5264584-A Dialkoxymethylimidazolidine derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1993-11-23 US disclosed
US-5192778-A DIALKOXYMETHYLIMIDAZOLIDINE DERIVATIVES, PREPARATION THEREOF, INSECTICIDES CONTAINING SAME AS AN EFFECTIVE INGREDIENT AND INTERMEDIATES THEREFOR MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-09 US disclosed
EP-0455000-A1 Dialkoxymethylimidazolidine derivatives, preparation thereof, insecticides containing same as an effective ingredient and intermediates therefor MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-11-06 EP disclosed