SCHEMBL2817564

SCHEMBL2817564

BB(C)[N-]B(B)C.BB(C)[N-]B(B)C.[Mg+2]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL18506487 0.64
SCHEMBL19219828 0.64
SCHEMBL882948 0.61
SCHEMBL685180 0.61
SCHEMBL10019557 0.57
SCHEMBL11959793 0.53
SCHEMBL20226853 0.53
SCHEMBL14563389 0.53
SCHEMBL14031378 0.53
SCHEMBL15195117 0.53

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
US-20130129593-A1 Metal Complex Compositions and Methods for Making Metal-Containing Films THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2013-05-23 US disclosed
US-8362220-B2 Metal complex compositions and methods for making metal-containing films THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-01-29 US disclosed
US-20100168404-A1 Metal Complex Compositions and Methods for Making Metal-Containing Films THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2010-07-01 US disclosed