SCHEMBL27668697

SCHEMBL27668697

CCN(C=O)CC.CCN(C=O)CC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31

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
SCHEMBL27084 1.00
SCHEMBL5518857 1.00
Hydrochloric Acid SCHEMBL28387642 0.96
SCHEMBL30610348 0.96
Ammonia Solution, Strong SCHEMBL27988621 0.96
SCHEMBL30610359 0.96
SCHEMBL28062245 0.96
Hydrochloric Acid SCHEMBL9231913 0.96
SCHEMBL29444430 0.96
Ammonia Solution, Strong SCHEMBL28339201 0.96

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1886536-B Method for electrochemical production of a crystalline porous metal organic skeleton material BASF AG 2010-12-08 CN disclosed
CN-1886536-A Method for electrochemical production of a crystalline porous metal organic skeleton material BASF AG (DE) 2006-12-27 CN disclosed