SCHEMBL9148281

SCHEMBL9148281

CC(O)COC(C)COC(C)CO.O=C(O)Cl.O=C(O)Cl

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.30
MAPT P10636 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
SCHEMBL9152798 0.96 TDP1 (0.42) TDP1MAPK1MAPT
SCHEMBL9581259 0.96 TDP1 (0.42) TDP1MAPK1MAPT
Acetic Acid SCHEMBL20210837 0.90 TDP1 (0.46) TDP1MAPK1MAPT
Acetic Acid SCHEMBL10713831 0.90 TDP1 (0.46) TDP1MAPK1MAPT
Lactic Acid SCHEMBL15512968 0.89 TDP1 (0.44) TDP1MAPK1MAPT
SCHEMBL1534156 0.89 TDP1 (0.44) TDP1MAPK1MAPT
Acetone SCHEMBL29160638 0.88 TDP1 (0.47) TDP1MAPK1MAPT
Bicarbonate SCHEMBL25422186 0.88 TDP1 (0.45) TDP1MAPK1MAPT
SCHEMBL3192072 0.88 TDP1 (0.54) TDP1MAPK1
SCHEMBL3185056 0.88 TDP1 (0.54) TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444104-A Dental restorative material based on a polycarbonate dimethacrylate JENERIC/PENTRON, INC. (US) 1995-08-22 US disclosed
US-5276068-A Dimethacrylate compounds containing carbonate groups, adhesives, restoration material JENERIC/PENTRON, INC. (US) 1994-01-04 US disclosed