SCHEMBL28403240

SCHEMBL28403240

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ ABCB1 P08183 8/20 0.39
▸ TSHR P16473 4/20 0.38
▸ BCHE P06276 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC43A1 O75387 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 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
SCHEMBL28914333 0.92 NPC1 (0.39) GAAABCB1TSHRBCHEPTGES2
SCHEMBL28410806 0.92 NPC1 (0.39) GAAABCB1TSHRBCHEPTGES2
SCHEMBL14769887 0.85 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL28502618 0.85 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL14769891 0.85 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL28336618 0.85 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL14172902 0.84 GAA (0.40) GAAABCB1TSHRBCHEKMT2A
SCHEMBL18271832 0.82 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1TDP1
SCHEMBL929589 0.82 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1TDP1
SCHEMBL17685117 0.82 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362989-B Preparation method of Sofosbuvir key intermediate 江苏工程职业技术学院 2022-03-08 — — CN claimed
CN-111362989-A Preparation method of Sofosbuvir key intermediate 江苏工程职业技术学院 2020-07-03 — — CN claimed
CN-111269282-A Method for preparing sofosbuvir intermediate by using continuous flow microchannel reactor 江苏阿尔法药业有限公司 2020-06-12 — — CN claimed
CN-111362989-B Preparation method of Sofosbuvir key intermediate 江苏工程职业技术学院 2022-03-08 — — CN disclosed
CN-111362989-B Preparation method of Sofosbuvir key intermediate 江苏工程职业技术学院 2022-03-08 — — CN disclosed
CN-111253454-B Preparation method of anti-hepatitis C drug sofosbuvir 江苏工程职业技术学院 2022-03-08 — — CN disclosed
CN-111362989-A Preparation method of Sofosbuvir key intermediate 江苏工程职业技术学院 2020-07-03 — — CN disclosed
CN-111362989-A Preparation method of Sofosbuvir key intermediate 江苏工程职业技术学院 2020-07-03 — — CN disclosed
CN-111269282-A Method for preparing sofosbuvir intermediate by using continuous flow microchannel reactor 江苏阿尔法药业有限公司 2020-06-12 — — CN disclosed
CN-111253454-A Preparation method of anti-hepatitis C drug sofosbuvir 江苏工程职业技术学院 2020-06-09 — — CN disclosed
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