SCHEMBL6129172

SCHEMBL6129172

CCC(O)(CC)C(C)OCC(C)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.33

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
SCHEMBL482801 0.76 MAPK1 (0.48) TDP1MAPK1HSD17B10TSHR
SCHEMBL11786191 0.74 MAPK1 (0.41) TDP1MAPK1HSD17B10
SCHEMBL28025487 0.68 TDP1 (0.46) TDP1MAPK1HSD17B10
SCHEMBL1759721 0.68 TDP1 (0.46) TDP1MAPK1HSD17B10
SCHEMBL21154123 0.67 MAPK1 (0.48) TDP1MAPK1
SCHEMBL9910554 0.66 TDP1 (0.46) TDP1MAPK1HSD17B10TSHR
SCHEMBL975267 0.66
SCHEMBL2703 0.66
SCHEMBL1416856 0.66
SCHEMBL28456948 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1607424-A1 A method of direct-to-metal coating Bayer MaterialScience LLC (US) 2005-12-21 EP claimed
US-20050277732-A1 Two-component coating composition COVESTRO LLC 2005-12-15 US claimed
CN-1721485-A Polyurethane dispersion prepared from a high acid functional polyester BAYER MATERIALSCIENCE LLC (US) 2006-01-18 CN disclosed
US-20050288431-A1 Polyurethane dispersion prepared from a high acid functional polyester BAYER MATERIALSCIENCE LLC 2005-12-29 US disclosed
US-20050288430-A1 Polyurethane dispersions with high acid content BAYER POLYMERS LLC 2005-12-29 US disclosed
EP-1609809-A1 Polyurethane dispersions with high acid content Bayer MaterialScience LLC (US) 2005-12-28 EP disclosed
EP-1609808-A2 Polyurethane dispersion prepared from a high acid functional polyester Bayer MaterialScience LLC (US) 2005-12-28 EP disclosed
CN-1712423-A Polyurethane dispersions with high acid content BAYER MATERIALSCIENCE LLC (US) 2005-12-28 CN disclosed
EP-1607424-A1 A method of direct-to-metal coating Bayer MaterialScience LLC (US) 2005-12-21 EP disclosed
US-20050277732-A1 Two-component coating composition COVESTRO LLC 2005-12-15 US disclosed