SCHEMBL28025487

SCHEMBL28025487

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.34

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
Tert-Butanol SCHEMBL6708821 0.90 TDP1 (0.45) TDP1MAPK1HSD17B10
Alcohol SCHEMBL17654892 0.85 TDP1 (0.54) TDP1MAPK1HSD17B10
SCHEMBL7612087 0.85 TDP1 (0.52) TDP1MAPK1HSD17B10
SCHEMBL8747551 0.85
SCHEMBL15111 0.85
SCHEMBL23248659 0.85
SCHEMBL23248656 0.85
SCHEMBL16542024 0.85
Butane SCHEMBL28607574 0.83 TDP1 (0.57) TDP1MAPK1HSD17B10
Propylene Glycol SCHEMBL412141 0.83 TDP1 (0.53) TDP1MAPK1HSD17B10

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
CN-104725260-A Method for degrading PET and synthesizing unsaturated polyester resin Zhangzhou yabang chemical co ltd 2015-06-24 CN claimed
CN-104725260-A Method for degrading PET and synthesizing unsaturated polyester resin Zhangzhou yabang chemical co ltd 2015-06-24 CN disclosed