SCHEMBL8829328

SCHEMBL8829328

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
PGD P52209 1/20 0.33
ABCB1 P08183 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 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
SCHEMBL7037710 0.95 TDP1 (0.47) TDP1POLBMAPK1PGDABCB1
SCHEMBL4656048 0.95 TDP1 (0.47) TDP1POLBMAPK1PGDABCB1
SCHEMBL1290131 0.95 TDP1 (0.47) TDP1POLBMAPK1PGDABCB1
SCHEMBL3054750 0.89 TDP1 (0.45) TDP1POLBMAPK1PGD
SCHEMBL3047380 0.89 TDP1 (0.45) TDP1POLBMAPK1PGD
SCHEMBL3066072 0.89 TDP1 (0.45) TDP1POLBMAPK1ALDH1A1
SCHEMBL4604940 0.84 TDP1 (0.50) TDP1POLBMAPK1PGDABCB1
SCHEMBL4605823 0.83 TDP1 (0.49) TDP1POLBMAPK1PGDABCB1
SCHEMBL19065772 0.83 TDP1 (0.49) TDP1POLBMAPK1ABCB1ALDH1A1
SCHEMBL4606686 0.83 TDP1 (0.49) TDP1POLBMAPK1PGDABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213487-B Preparation method of azacitidine 安徽普利药业有限公司 2023-12-26 CN disclosed
CN-114213487-A Preparation method of azacitidine 安徽普利药业有限公司 2022-03-22 CN disclosed
US-5668271-A Indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-09-16 US disclosed
US-5591842-A ANTICARCINOGENIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
US-5589365-A ANTITUMOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
EP-0545195-B1 Indolopyrrolocarbazole derivatives BANYU PHARMA CO LTD (JP) 1995-11-22 EP disclosed
EP-0545195-A1 Indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed
US-4003995-A Glycosyl esters of phenoxyisobutyric acids AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-18 US disclosed