SCHEMBL28336618

SCHEMBL28336618

C[C@]1(F)C(O)O[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ ABCB1 P08183 9/20 0.39
▸ TSHR P16473 3/20 0.39
▸ BCHE P06276 1/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ LGALS9 O00182 1/20 0.37
▸ LGALS1 P09382 1/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ LGALS7; LGALS7B P47929 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ HTR3A P46098 1/20 0.36

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
SCHEMBL14769887 1.00 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL2505924 0.92 NPC1 (0.40) GAAABCB1TSHRBCHEPTGES2
SCHEMBL4261396 0.92 NPC1 (0.40) GAAABCB1TSHRBCHEPTGES2
SCHEMBL14769891 0.86 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL28502618 0.86 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL28403240 0.85 GAA (0.42) GAAABCB1TSHRBCHEPTGES2
SCHEMBL14769876 0.83 LMNA (0.40) GAAABCB1TSHRBCHEMAPK1
SCHEMBL28412125 0.83 ABCB1 (0.44) GAAABCB1TSHRKMT2ASLC43A1
SCHEMBL13187913 0.81 ALDH1A1 (0.50) GAAMAPK1HIF1ALGALS9LGALS1
SCHEMBL18271833 0.81 ALDH1A1 (0.50) GAAMAPK1HIF1ALGALS9LGALS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905398-B Synthetic method of sofosbuvir ZHEJIANG A & F UNIVERSITY (CN) 2019-12-10 — — CN claimed
CN-110669085-A Preparation method of sofosbuvir intermediate 上海迪赛诺药业股份有限公司 2020-01-10 — — CN disclosed
CN-110669085-A Preparation method of sofosbuvir intermediate 上海迪赛诺药业股份有限公司 2020-01-10 — — CN disclosed
CN-106905398-B Synthetic method of sofosbuvir ZHEJIANG A & F UNIVERSITY (CN) 2019-12-10 — — CN disclosed
CN-106905398-B Synthetic method of sofosbuvir ZHEJIANG A & F UNIVERSITY (CN) 2019-12-10 — — CN disclosed
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