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SCHEMBL18769277

SCHEMBL18769277

CC/C=C/C=C/OCC(=O)Nc1nc2c(ncn2C2OC(COP(OCCC#N)N(C(C)C)C(C)C)C(OC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL21171618 0.91 TYMP (0.36) TYMPTAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL21163079 0.91 TYMP (0.36) TYMPTAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL21184283 0.91 TYMP (0.36) TYMPTAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL18769139 0.91 TYMP (0.36) TYMPTAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL18759035 0.91 TYMP (0.36) TYMPTAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL18759043 0.91 TYMP (0.36) TYMPTAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL668541 0.85 TYMP (0.43) TYMPTAS1R3TAS1R1KDM4E
SCHEMBL19493308 0.84 TYMP (0.43) TYMPTAS1R3TAS1R1KDM4E
SCHEMBL18927167 0.84 TYMP (0.43) TYMPTAS1R3TAS1R1KDM4E
SCHEMBL21073923 0.84 TYMP (0.43) TYMPTAS1R3TAS1R1KDM4E

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
WO-2017066793-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. (US) 2017-04-20 — — WO disclosed
WO-2017066781-A1 MRNA CAP ANALOGS WITH MODIFIED PHOSPHATE LINKAGE MODERNATX, INC. (US) 2017-04-20 — — WO disclosed
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