SCHEMBL30712002

SCHEMBL30712002

O=C(O)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.48
▸ TACR2 P21452 3/20 0.46
▸ PDE2A O00408 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ PTPN1 P18031 8/20 0.44
▸ CDC25B P30305 7/20 0.44
▸ PTPN2 P17706 5/20 0.44
▸ PTPN11 Q06124 5/20 0.44
▸ PTPN6 P29350 4/20 0.44
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ GJB2 P29033 1/20 0.41

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
SCHEMBL21332726 0.90 NT5E (0.46) NT5ETACR2PDE2AHTR1APTPN1
SCHEMBL8723296 0.87 NT5E (0.53) NT5ETACR2HTR1APTPN1CDC25B
SCHEMBL16756817 0.83 PDE2A (0.48) NT5ETACR2PDE2AHTR1APTPN1
SCHEMBL17039975 0.83 PDE2A (0.48) NT5ETACR2PDE2AHTR1APTPN1
SCHEMBL29711813 0.83 PDE2A (0.48) NT5ETACR2PDE2AHTR1APTPN1
SCHEMBL24371602 0.83 PDE2A (0.48) NT5ETACR2PDE2AHTR1APTPN1
SCHEMBL16756820 0.83 PDE2A (0.48) NT5ETACR2PDE2AHTR1APTPN1
SCHEMBL18636425 0.83 PDE2A (0.48) NT5ETACR2PDE2AHTR1APTPN1
SCHEMBL27424642 0.83 PDE2A (0.41) NT5ETACR2PDE2AHTR1APTPN1
SCHEMBL7353601 0.82 TSHR (0.45) NT5ETACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126199-B Fluororad West-Wei synthesis method 江西师范大学 2024-12-06 — — CN claimed
CN-117126199-A Synthesis method of fluoroRuidexivir 江西师范大学 2023-11-28 — — CN claimed
CN-117126199-B Fluororad West-Wei synthesis method 江西师范大学 2024-12-06 — — CN disclosed
CN-117126199-A Synthesis method of fluoroRuidexivir 江西师范大学 2023-11-28 — — CN disclosed
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