SCHEMBL8495805

SCHEMBL8495805

CC(O)COC(C)COP(OCC(C)OCC(C)O)OCC(C)OCC(C)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL2376514 0.84 TDP1 (0.50) TDP1MAPK1HSD17B10
SCHEMBL2241100 0.82 TDP1 (0.48) TDP1MAPK1HSD17B10
SCHEMBL8496542 0.82 MAPK1 (0.43) TDP1MAPK1HSD17B10LMNA
SCHEMBL11573684 0.79 TDP1 (0.46) TDP1MAPK1HSD17B10
SCHEMBL43392 0.77 TDP1 (0.71) TDP1MAPK1HSD17B10LMNA
SCHEMBL11572554 0.76 TDP1 (0.47) TDP1HSD17B10
SCHEMBL16072 0.75 TDP1 (0.61) TDP1MAPK1HSD17B10LMNA
SCHEMBL17504736 0.75 TDP1 (0.68) TDP1MAPK1HSD17B10LMNA
SCHEMBL250892 0.75 TDP1 (0.68) TDP1MAPK1HSD17B10LMNA
SCHEMBL535994 0.75 TDP1 (0.56) TDP1MAPK1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981612-A Production of flameproofed, rigid, isocyanate-based foams BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0719807-B1 Process for the preparation of flame-proofed rigid foams based on isocyanate BASF SCHWARZHEIDE GMBH (DE) 1999-11-03 EP disclosed
EP-0908464-A1 Process for the preparation of hydroxyphosphonates and their use as flame retardants in polymers BASF AKTIENGESELLSCHAFT (DE) 1999-04-14 EP disclosed
EP-0719807-A2 Process for the preparation of flame-proofed rigid foams based on isocyanate BASF SCHWARZHEIDE GmbH (DE) 1996-07-03 EP disclosed