SCHEMBL4659760

SCHEMBL4659760

[Li]C1([Li])CC=CC=C1c1ccccc1

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
SCHEMBL26980729 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28907714 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5458204 0.76 CHRNA7 (0.32) ALDH1A1
SCHEMBL3992253 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL365627 0.76 ESR1 (0.32) ALDH1A1
SCHEMBL6984233 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1990517 0.76 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL734441 0.76 PNMT (0.32) ALDH1A1
SCHEMBL3728491 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL31442063 0.76 PNMT (0.37)

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-2005496-A1 BIPHENYL/METAL COMPLEX MONOMERS AND OLIGOMERIC TRIPLET EMITTERS FOR OLED APPLICATIONS Universität Regensburg (DE) 2008-12-24 EP disclosed
WO-2007118671-A1 BIPHENYL/METAL COMPLEX MONOMERS AND OLIGOMERIC TRIPLET EMITTERS FOR OLED APPLICATIONS UNIVERSITÄT REGENSBURG (DE) 2007-10-25 WO disclosed