SCHEMBL6891504

SCHEMBL6891504

CC(C)NC(C)C.CC(C)NC(C)C.N#CCCOP

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.33
GAA P10253 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
SCHEMBL602024 1.00 TDP1 (0.35) TDP1TSHRGAA
SCHEMBL9792836 0.84
SCHEMBL5823199 0.81
Hydrochloric Acid SCHEMBL28583405 0.78
SCHEMBL992741 0.77 TDP1 (0.33) TDP1TSHR
SCHEMBL4745787 0.75 TSHR (0.31) TSHR
SCHEMBL2455808 0.75 TDP1 (0.40) TDP1TSHR
SCHEMBL1328556 0.74 TDP1 (0.31) TDP1TSHR
SCHEMBL1402719 0.74 TDP1 (0.31) TDP1TSHR
SCHEMBL27864231 0.72 TSHR (0.50) TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089529-A1 METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES Universität Konstanz (DE) 2004-10-21 WO disclosed