SCHEMBL6915871

SCHEMBL6915871

C=C(CCCCCCC[Si](OC)(OC)OCC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.36
THRB P10828 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
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
SCHEMBL6917868 1.00 TBXAS1 (0.36) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL6918154 1.00 TBXAS1 (0.36) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL6915554 0.98 TBXAS1 (0.34) TBXAS1
SCHEMBL6915317 0.97 TBXAS1 (0.36) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL6914001 0.97 TBXAS1 (0.36) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL6908559 0.97 TBXAS1 (0.36) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL6913365 0.95 TBXAS1 (0.34) TBXAS1
SCHEMBL6914042 0.94 TBXAS1 (0.32) TBXAS1
Hydrogen Sulfide SCHEMBL5081973 0.92 TBXAS1 (0.33) TBXAS1
SCHEMBL6917061 0.92 TBXAS1 (0.39) TBXAS1THRBFNTAFNTBPGGT1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360245-B1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M ESPE AG (DE) 2004-07-14 EP disclosed
EP-1360245-A1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M Espe AG (DE) 2003-11-12 EP disclosed
WO-2002072711-A1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M ESPE AG (DE) 2002-09-19 WO disclosed