SCHEMBL5677136

SCHEMBL5677136

Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1c[nH]c([B-](c2ncc[nH]2)(c2ncc[nH]2)c2ncc[nH]2)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5680193 0.93 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL595001 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL3717302 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL600691 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL31550581 0.71 NPC1 (0.36)
SCHEMBL6055553 0.67 NISCH (0.47) ALDH1A1
SCHEMBL3453958 0.65 NISCH (0.48) ALDH1A1SMN1; SMN2
SCHEMBL61205 0.65 TBXAS1 (0.46) ALDH1A1
SCHEMBL61763 0.65 TBXAS1 (0.46) ALDH1A1
SCHEMBL5680199 0.64 ALDH1A1 (0.32) 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
EP-1228109-B1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS DOW GLOBAL TECHNOLOGIES INC (US) 2006-02-01 EP claimed