SCHEMBL12331453

SCHEMBL12331453

O=Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C=O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)C3C=C/C(=C(\c4ccc(C=O)cc4)c4ccc2[nH]4)N3)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14076169 0.81 — —
SCHEMBL10017406 0.80 — —
SCHEMBL20343490 0.73 — —
SCHEMBL15131998 0.72 — —
SCHEMBL17177682 0.71 TOP1 (0.32) ALDH1A1
SCHEMBL17179810 0.68 NQO2 (0.32) —
SCHEMBL17550044 0.67 NQO2 (0.31) —
SCHEMBL30711822 0.67 TOP1 (0.33) —
SCHEMBL8571099 0.67 CYP3A4 (0.33) —
SCHEMBL15123763 0.66 MAPT (0.34) 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-2011113879-A1 ENHANCED FOLIC ACID FLUORESCENT MATERIAL, MULTIFLUORESCENT POROUS COMPOSITIONS OF MATTER AND POTENTIAL APPLICATIONS THEREOF. NANOLOGICA AB (SE) 2011-09-22 — — WO disclosed
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