SCHEMBL19840396

SCHEMBL19840396

CC(C)CCOCC(C)OCC(C)OCC(C)OCC(C)OCCN

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.30

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
SCHEMBL25820294 1.00 TDP1 (0.40) TDP1CYP3A4
SCHEMBL8738746 0.88 TDP1 (0.45) TDP1
SCHEMBL13381787 0.83 TDP1 (0.43) TDP1CYP3A4
SCHEMBL10099855 0.83 TDP1 (0.43) TDP1CYP3A4
SCHEMBL21767819 0.80 TDP1 (0.42) TDP1
SCHEMBL3915321 0.78 TDP1 (0.66) TDP1
SCHEMBL29560022 0.78 TDP1 (0.46) TDP1CYP3A4
SCHEMBL12143969 0.78 TDP1 (0.39) TDP1
SCHEMBL3910888 0.76 TDP1 (0.68) TDP1
SCHEMBL9349437 0.76 CYP3A4 (0.43) TDP1CYP3A4

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
US-9884118-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2018-02-06 US disclosed