SCHEMBL30939813

SCHEMBL30939813

CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ RIPK1 Q13546 3/20 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
SCHEMBL26636585 0.94 TMPRSS2 (0.34) TMPRSS2
SCHEMBL31684203 0.94 TMPRSS2 (0.34) TMPRSS2
SCHEMBL31684151 0.94 TMPRSS2 (0.34) TMPRSS2
SCHEMBL31684163 0.91 TMPRSS2 (0.35) TMPRSS2
SCHEMBL31684076 0.91 TMPRSS2 (0.35) TMPRSS2
SCHEMBL31684115 0.91 TMPRSS2 (0.35) TMPRSS2
Remidevir SCHEMBL23959877 0.90 TMPRSS2 (0.38) TMPRSS2RIPK1
Remidevir SCHEMBL30996064 0.90 TMPRSS2 (0.38) TMPRSS2RIPK1
Remidevir SCHEMBL25366324 0.90 TMPRSS2 (0.38) TMPRSS2RIPK1
Remidevir SCHEMBL25365610 0.89 TMPRSS2 (0.38) TMPRSS2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4617278-A1 NUCLEOTIDE ANALOG, AND COMPOSITION AND USE THEREOF Shenzhen TargetRx, Inc. (CN) 2025-09-17 — — EP disclosed
WO-2024120464-A1 NUCLEOTIDE ANALOG, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2024-06-13 — — WO disclosed
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