SCHEMBL4492708

SCHEMBL4492708

C=CCOC(=O)OCCC1CCN(CCOC(=O)OCC=C)C1=N

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 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
SCHEMBL4347548 0.86 SIGMAR1 (0.32) SIGMAR1
SCHEMBL4353646 0.78 TDP1 (0.34)
SCHEMBL4193243 0.74 CYP3A4 (0.34)
SCHEMBL4196055 0.69 NPSR1 (0.31)
SCHEMBL4201430 0.69 POLB (0.42)
SCHEMBL4194413 0.69 KDM4E (0.36)
SCHEMBL4200824 0.69 SCN9A (0.34)
SCHEMBL6864609 0.66 CYP3A4 (0.38)
SCHEMBL176184 0.65 CYP3A4 (0.43)
Ethylene SCHEMBL167446 0.64 CYP3A4 (0.42)

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-1361246-B1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND MITSUI CHEMICALS INC (JP) 2009-02-18 EP disclosed
EP-1361246-A1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND Mitsui Chemicals, Inc. (JP) 2003-11-12 EP disclosed