SCHEMBL635672

SCHEMBL635672

N#CCC(=O)O.N#CCC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 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
SCHEMBL433108 0.92 MCL1 (0.36) MCL1
Trifluoroacetic Acid SCHEMBL21226529 0.80 MCL1 (0.36) MCL1
Trifluoroacetic Acid SCHEMBL776358 0.74 MCL1 (0.32) MCL1
Fluoroacetate SCHEMBL28406186 0.74 MCL1 (0.37) MCL1
SCHEMBL433292 0.72 MCL1 (0.48) MCL1
SCHEMBL30022145 0.72
SCHEMBL16130 0.72
SCHEMBL30536998 0.72
SCHEMBL27567423 0.72 MCL1 (0.53) MCL1
SCHEMBL28411132 0.71

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
EP-2420486-B1 Method for producing 2-cyanoacetic acid anhydride and further reaction products thereof HENKEL IRELAND LTD (DE) 2013-11-06 EP disclosed
EP-2420486-A1 Method for producing 2-cyanoacetic acid anhydride and further reaction products thereof Loctite (R & D) Limited (IE) 2012-02-22 EP disclosed