SCHEMBL9971678

SCHEMBL9971678

CC(COCCOCCCN)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCN

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.31
ODC1 P11926 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
SCHEMBL730711 0.96 CYP3A4 (0.43) CYP3A4TDP1HTTODC1
SCHEMBL9349437 0.92 CYP3A4 (0.43) CYP3A4TDP1HTTODC1
SCHEMBL6747243 0.92 CYP3A4 (0.43) CYP3A4TDP1HTTODC1
SCHEMBL628731 0.88 CYP3A4 (0.46) CYP3A4TDP1HTTODC1
SCHEMBL26006878 0.87 CYP3A4 (0.36) CYP3A4TDP1HTT
SCHEMBL9580780 0.84 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL12119295 0.84 TDP1 (0.41) TDP1
SCHEMBL19131302 0.84 TDP1 (0.41) TDP1
SCHEMBL12677501 0.80 CYP3A4 (0.43) CYP3A4ODC1
SCHEMBL14515641 0.80 CYP1A2 (0.37) CYP3A4TDP1

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
US-8377464-B2 Polymerizable surfactants and their use as device forming comonomers BAUSCH & LOMB INCORPORATED (US) 2013-02-19 US disclosed
US-20120157565-A1 Polymerizable Surfactants and Their Use as Device Forming Comonomers BAUSCH HEALTH US, LLC 2012-06-21 US disclosed