SCHEMBL31483544

SCHEMBL31483544

CCN(CC)CC.C[n+]1cn([C@@H]2O[C@H](COP([O-])(O)=[SH]#P=O)[C@](O)(OS(C)(=O)=O)[C@H]2O)c2nc(N)[nH]c(=O)c21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.37
▸ NT5E P21589 2/20 0.35
▸ FUT5 Q11128 1/20 0.33
▸ DCPS Q96C86 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ EIF4E P06730 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ KRAS P01116 1/20 0.32

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
SCHEMBL31483545 0.93 HINT1 (0.37) HINT1NT5EDCPSEIF4E
SCHEMBL30579769 0.90 POLB (0.36) HINT1NT5EFUT5DCPSSTING1
SCHEMBL30579774 0.83 TGM2 (0.39) NT5EFUT5DCPSPOLBTGM2
SCHEMBL31359442 0.81 PNP (0.35) HINT1NT5E
SCHEMBL31359443 0.71 TGM2 (0.56) HINT1NT5EFUT5DCPSPOLB
SCHEMBL25433573 0.71 TGM2 (0.55) NT5EFUT5DCPSTGM2KRAS
SCHEMBL31108153 0.70 TGM2 (0.39) FUT5DCPSPOLBTGM2KRAS
SCHEMBL30413097 0.69 TGM2 (0.38) FUT5DCPSPOLBTGM2KRAS
SCHEMBL26207881 0.69 TGM2 (0.53) NT5EFUT5DCPSTGM2KRAS
SCHEMBL20680991 0.67 NT5E (0.56) NT5EFUT5EIF4ETGM2

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
WO-2025071359-A1 MRNA CAP ANALOG AND USE THEREOF 한미정밀화학 주식회사 2025-04-03 — — WO disclosed
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