SCHEMBL28358593

SCHEMBL28358593

O=C1OC(OP(=O)(O)O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 4/20 0.38
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL13044446 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4ETSHRHTT
SCHEMBL15214378 0.83 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EPOLBLMNA
SCHEMBL13381564 0.83 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EHTTPOLB
SCHEMBL30701070 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4ETSHRHTT
SCHEMBL17961787 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4ETSHRHTT
SCHEMBL22656819 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4ETSHRHTT
SCHEMBL11999087 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EPOLBLMNA
SCHEMBL28033665 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL29441612 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL11213802 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112624981-B Preparation method of 2-fluoro-5- [ (4-oxo-3H-2, 3-diazanaphthyl) methyl ] benzoic acid 南京桦冠生物技术有限公司 2021-05-25 CN claimed
CN-112624981-A Preparation method of 2-fluoro-5- [ (4-oxo-3H-2, 3-diazanaphthyl) methyl ] benzoic acid 南京桦冠生物技术有限公司 2021-04-09 CN claimed
CN-110790710-A Synthetic method of olaparib 东南大学 2020-02-14 CN claimed
CN-117229219-A Preparation method of high-purity olapari 合肥创新医药技术有限公司 2023-12-15 CN disclosed
CN-117229219-A Preparation method of high-purity olapari 合肥创新医药技术有限公司 2023-12-15 CN disclosed
CN-112624981-B Preparation method of 2-fluoro-5- [ (4-oxo-3H-2, 3-diazanaphthyl) methyl ] benzoic acid 南京桦冠生物技术有限公司 2021-05-25 CN disclosed
CN-112624981-B Preparation method of 2-fluoro-5- [ (4-oxo-3H-2, 3-diazanaphthyl) methyl ] benzoic acid 南京桦冠生物技术有限公司 2021-05-25 CN disclosed
CN-112661733-A Olapari impurity intermediate, Olapari impurity and preparation method thereof 南京方生和医药科技有限公司 2021-04-16 CN disclosed
CN-112624981-A Preparation method of 2-fluoro-5- [ (4-oxo-3H-2, 3-diazanaphthyl) methyl ] benzoic acid 南京桦冠生物技术有限公司 2021-04-09 CN disclosed
CN-112624981-A Preparation method of 2-fluoro-5- [ (4-oxo-3H-2, 3-diazanaphthyl) methyl ] benzoic acid 南京桦冠生物技术有限公司 2021-04-09 CN disclosed
CN-108794405-B Method for continuously preparing Olaparib intermediate by adopting micro-channel modular reaction device 南京工业大学 2020-09-04 CN disclosed
CN-110790710-A Synthetic method of olaparib 东南大学 2020-02-14 CN disclosed
CN-110790710-A Synthetic method of olaparib 东南大学 2020-02-14 CN disclosed