SCHEMBL21346560

SCHEMBL21346560

CC(COCC(COCCCN)OCCCN)OCC(COCCCN)OCCCN

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
TLR2 O60603 9/20 0.38
TDP1 Q9NUW8 1/20 0.38
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 1/20 0.37
DNM1 Q05193 1/20 0.35
HTT P42858 1/20 0.33

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
SCHEMBL22928731 1.00 CYP3A4 (0.42) CYP3A4TLR2TDP1LPAR1LPAR3
SCHEMBL6747243 0.85 CYP3A4 (0.43) CYP3A4TLR2TDP1HTT
SCHEMBL9349437 0.85 CYP3A4 (0.43) CYP3A4TLR2TDP1HTT
SCHEMBL628731 0.85 CYP3A4 (0.46) CYP3A4TLR2TDP1HTT
SCHEMBL991743 0.84 CYP3A4 (0.48) CYP3A4TLR2LPAR1LPAR3LPAR2
SCHEMBL17086768 0.81 CYP3A4 (0.56) CYP3A4TLR2LPAR1LPAR3LPAR2
SCHEMBL16807613 0.81 TLR2 (0.46) CYP3A4TLR2LPAR1LPAR3LPAR2
SCHEMBL12317008 0.79 CYP3A4 (0.44) CYP3A4TLR2LPAR1LPAR3LPAR2
SCHEMBL3029362 0.79 HTT (0.51) CYP3A4TLR2TDP1LPAR1LPAR3
SCHEMBL9971678 0.78 CYP3A4 (0.41) CYP3A4TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702568-B2 (Per)fluoropolyether derivatives SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2023-07-18 US disclosed
US-10941316-B2 (Per)fluoropolyether derivatives SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2021-03-09 US disclosed
US-20210024778-A1 (PER)FLUOROPOLYETHER DERIVATIVES SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2021-01-28 US disclosed
US-20190276705-A1 (PER)FLUOROPOLYETHER DERIVATIVES SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2019-09-12 US disclosed