SCHEMBL21756589

SCHEMBL21756589

C=CCOCC(COCC=C)Oc1nc(OCC2CO2)nc(OCC2CO2)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL4155468 0.81 ALDH1A1 (0.53) ALDH1A1TDP1MAPTMAPK1
SCHEMBL11190248 0.81 ALDH1A1 (0.53) ALDH1A1TDP1MAPTMAPK1
SCHEMBL11207182 0.76 ALDH1A1 (0.47) ALDH1A1TDP1MAPTMAPK1
SCHEMBL20925941 0.75 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1
SCHEMBL487480 0.73 TDP1 (0.48) ALDH1A1TDP1MAPTMAPK1
SCHEMBL29398866 0.73 TDP1 (0.48) ALDH1A1TDP1MAPTMAPK1
SCHEMBL29397562 0.73 TDP1 (0.48) ALDH1A1TDP1MAPTMAPK1
SCHEMBL22445077 0.72 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1
SCHEMBL30529277 0.72 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1
SCHEMBL20228536 0.69 ALDH1A1 (0.39) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548541-B1 DUAL CURE MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2022-05-18 EP disclosed
US-11021574-B2 Dual cure monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-06-01 US disclosed
US-20200062908-A1 Dual Cure Monomers 3M INNOVATIVE PROPERTIES COMPANY 2020-02-27 US disclosed