SCHEMBL9544586

SCHEMBL9544586

C=CC(OCCCCCCCCCCCCOC(C=C)c1ccccc1)c1ccccc1.C=CC(OCCCCCCOC(C=C)c1ccccc1)c1ccccc1.C=Cc1ccccc1CCc1ccccc1C=C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9193909 0.85 CASR (0.36) CASRALDH1A1
SCHEMBL9193388 0.85 CASR (0.36) CASRALDH1A1
SCHEMBL4830725 0.81 CASR (0.36) CASRALDH1A1
SCHEMBL28034845 0.78 NPC1 (0.42) CASRALDH1A1
SCHEMBL6678195 0.78 NPC1 (0.42) CASRALDH1A1
SCHEMBL28035365 0.78 NPC1 (0.42) CASRALDH1A1
SCHEMBL28035354 0.78 NPC1 (0.42) CASRALDH1A1
SCHEMBL6541581 0.78 NPC1 (0.42) CASRALDH1A1
SCHEMBL6541323 0.78 NPC1 (0.42) CASRALDH1A1
SCHEMBL28034832 0.78 NPC1 (0.42) CASRALDH1A1

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-1993014097-A1 NOVEL BISPHOSPHONIC ACID DERIVATIVES AND THEIR USE NAESMAN JAN ANDERS HARRY (FI) 1993-07-22 WO disclosed