SCHEMBL21795200

SCHEMBL21795200

O=C(CCN1CCN(CCC(O)N(CCO)CCO)CC1)N(CCO)CCO

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL20649485 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL20649482 0.73 POLB (0.36) ALDH1A1
SCHEMBL29070245 0.73 GLA (0.53) ALDH1A1
SCHEMBL20649480 0.69 OPRM1 (0.36) ALDH1A1
SCHEMBL25658569 0.68 CHRM2 (0.31) ALDH1A1
SCHEMBL1232870 0.64 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7134198 0.63 HSD17B10 (0.41) ALDH1A1
SCHEMBL1387466 0.62 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13315089 0.61 CA1 (0.43) ALDH1A1
SCHEMBL132324 0.61 LMNA (0.46) ALDH1A1

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-2020045549-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-03-05 WO disclosed