SCHEMBL30921693

SCHEMBL30921693

CCCCCCCCCCCCCCCCOCCCOP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)OOC(=O)OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.39
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ FGFR1 P11362 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
SCHEMBL31684092 0.92 TMPRSS2 (0.38) TMPRSS2CYP3A4CYP2D6
SCHEMBL31684098 0.92 TMPRSS2 (0.38) TMPRSS2CYP3A4CYP2D6
SCHEMBL31684218 0.92 TMPRSS2 (0.38) TMPRSS2CYP3A4CYP2D6
SCHEMBL24305335 0.86 TMPRSS2 (0.42) TMPRSS2FGFR1
SCHEMBL24304406 0.86 TMPRSS2 (0.42) TMPRSS2FGFR1
SCHEMBL24304701 0.86 TMPRSS2 (0.42) TMPRSS2FGFR1
SCHEMBL24304404 0.86 TMPRSS2 (0.42) TMPRSS2FGFR1
SCHEMBL24339531 0.86 TMPRSS2 (0.42) TMPRSS2FGFR1
SCHEMBL24304741 0.86 TMPRSS2 (0.42) TMPRSS2FGFR1
SCHEMBL24304414 0.86 TMPRSS2 (0.42) TMPRSS2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165034-A Nucleotide compound, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2024-06-11 — — CN disclosed
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