SCHEMBL6026595

SCHEMBL6026595

CCC(C)(C=O)CO.CCC(O)CC=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL341697 0.80
SCHEMBL31982 0.78
SCHEMBL27997604 0.78
SCHEMBL1189123 0.78
SCHEMBL580295 0.76 GAPDH (0.34)
Methylamine SCHEMBL27857388 0.74 GAPDH (0.36)
SCHEMBL556820 0.68
SCHEMBL1781815 0.68
SCHEMBL1781193 0.68 CA1 (0.32)
SCHEMBL5674870 0.68 GAPDH (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678230-B1 TWO-COMPONENT POLYURETHANE COMPOUND EXHIBITING A HIGH EARLY STRENGTH SIKA TECHNOLOGY AG (CH) 2011-12-21 EP disclosed
EP-1697385-A2 ALDIMINOALKYLSILANES Sika Technology AG (CH) 2006-09-06 EP disclosed
EP-1678230-A1 TWO-COMPONENT POLYURITHANE COMPOUND EXHIBITING A HIGH EARLY STRENGTH Sika Technology AG (CH) 2006-07-12 EP disclosed
WO-2005058921-A2 ALDIMINOALKYLSILANES SIKA TECHNOLOGY AG (CH) 2005-06-30 WO disclosed
EP-1544204-A1 Aldiminoalkylsilanes Sika Technology AG (CH) 2005-06-22 EP disclosed
WO-2005037885-A1 TWO-COMPONENT POLYURITHANE COMPOUND EXHIBITING A HIGH EARLY STRENGTH SIKA TECHNOLOGY AG (CH) 2005-04-28 WO disclosed
EP-1524282-A1 Two-component polyurethane composition having high early strength Sika Technology AG (CH) 2005-04-20 EP disclosed