SCHEMBL3680159

SCHEMBL3680159

CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.73
ABCB1 P08183 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
PRKCA P17252 4/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL16638483 1.00 TDP1 (0.73) TDP1ABCB1POLBMAPK1PRKCA
SCHEMBL16627356 0.89 TDP1 (0.79) TDP1ABCB1POLBMAPK1PRKCA
SCHEMBL17635918 0.89 TDP1 (0.79) TDP1ABCB1POLBMAPK1PRKCA
SCHEMBL1320767 0.88 TDP1 (0.66) TDP1ABCB1POLBMAPK1PRKCA
SCHEMBL16312958 0.87 TDP1 (0.81) TDP1ABCB1POLBMAPK1PRKCA
SCHEMBL270042 0.87 TDP1 (0.96) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL2175855 0.87 TDP1 (0.96) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL826717 0.87 TDP1 (0.96) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL7149374 0.87 TDP1 (0.96) TDP1ABCB1POLBMAPK1LMNA
SCHEMBL7150717 0.87 TDP1 (0.96) TDP1ABCB1POLBMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892874-A Double decomposition unsaturated polyol ester primer and preparation method thereof 安徽江锐新材料有限公司 2020-11-06 CN claimed
US-7781506-B2 Poly(vinyl alcohol) composition comprising a polyol E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 US claimed
US-20080182937-A1 Poly(vinyl alcohol) composition comprising polyol KURARAY CO., LTD. (JP) 2008-07-31 US claimed
CN-111892874-A Double decomposition unsaturated polyol ester primer and preparation method thereof 安徽江锐新材料有限公司 2020-11-06 CN disclosed
US-7781506-B2 Poly(vinyl alcohol) composition comprising a polyol E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 US disclosed
EP-2018403-A1 WATER DISPERSIBLE FILMS FOR DELIVERY OF ACTIVE AGENTS TO THE EPIDERMIS Eastman Chemical Company (US) 2009-01-28 EP disclosed
EP-2018143-A2 WATER-DISPERSIBLE PATCH CONTAINING AN ACTIVE AGENT FOR DERMAL DELIVERY Eastman Chemical Company (US) 2009-01-28 EP disclosed
US-20080182937-A1 Poly(vinyl alcohol) composition comprising polyol KURARAY CO., LTD. (JP) 2008-07-31 US disclosed
WO-2007133509-A2 WATER-DISPERSIBLE PATCH CONTAINING AN ACTIVE AGENT FOR DERMAL DELIVERY EASTMAN CHEMICAL COMPANY (US) 2007-11-22 WO disclosed
WO-2007133508-A1 WATER DISPERSIBLE FILMS FOR DELIVERY OF ACTIVE AGENTS TO THE EPIDERMIS EASTMAN CHEMICAL COMPANY (US) 2007-11-22 WO disclosed
US-20070258935-A1 Water dispersible films for delivery of active agents to the epidermis EASTMAN CHEMICAL COMPANY 2007-11-08 US disclosed
US-20070259029-A1 Water-dispersible patch containing an active agent for dermal delivery EASTMAN CHEMICAL COMPANY 2007-11-08 US disclosed