SCHEMBL27348989

SCHEMBL27348989

CN1CCN(CC(F)(F)F)CCN2CCOCCN(CCOCC2)CCN(CC(F)(F)F)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HPGDS O60760 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
SCHEMBL2740581 0.82 HTT (0.40) ALDH1A1KDM4EHTT
SCHEMBL14654118 0.78 USP2 (0.41) ALDH1A1KDM4EHRH3HPGDS
SCHEMBL27348837 0.78 NPSR1 (0.35) ALDH1A1KDM4EHRH3
SCHEMBL27351189 0.78 NPSR1 (0.35) ALDH1A1KDM4EHRH3
SCHEMBL11424766 0.76 SMN1; SMN2 (0.37) ALDH1A1KDM4EHRH3
SCHEMBL27349437 0.76 SMN1; SMN2 (0.37) ALDH1A1KDM4EHRH3
SCHEMBL27348823 0.76 CA12 (0.36) ALDH1A1KDM4EHRH3
SCHEMBL27349442 0.76 SMN1; SMN2 (0.37) ALDH1A1KDM4EHRH3
SCHEMBL27349606 0.76 SMN1; SMN2 (0.37) ALDH1A1KDM4EHRH3
SCHEMBL11553152 0.76 SMN1; SMN2 (0.37) ALDH1A1KDM4EHRH3

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
EP-4389754-A1 METAL-ORGANIC COORDINATION COMPOUND AND METHOD FOR PRODUCING THE SAME beeOLED GmbH (DE) 2024-06-26 EP disclosed