SCHEMBL23624673

SCHEMBL23624673

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(F)C2OP(=S)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(OC)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.46
▸ P2RY12 Q9H244 2/20 0.41
▸ GAPDH P04406 1/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ P2RY6 Q15077 1/20 0.40
▸ DNPH1 O43598 2/20 0.39
▸ NT5E P21589 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37

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
SCHEMBL18048089 0.92 TYMP (0.42) TYMPP2RY12GAPDHP2RY2P2RY1
SCHEMBL18797882 0.91 TYMP (0.41) TYMPP2RY12GAPDHP2RY2P2RY1
SCHEMBL23624675 0.90 P2RY12 (0.47) P2RY12GAPDHP2RY2P2RY1P2RY6
SCHEMBL18048087 0.90 TYMP (0.39) TYMPP2RY12GAPDHP2RY2P2RY1
SCHEMBL23624636 0.88 TYMP (0.44) TYMPP2RY12GAPDHP2RY2P2RY1
SCHEMBL18797869 0.88 TYMP (0.39) TYMPP2RY12GAPDHP2RY2P2RY1
SCHEMBL18797890 0.87 TYMP (0.39) TYMPP2RY12GAPDHP2RY2P2RY1
SCHEMBL18797892 0.86 TYMP (0.39) TYMPP2RY12GAPDHP2RY2P2RY1
SCHEMBL18797862 0.86 TYMP (0.39) TYMPP2RY12GAPDHP2RY2P2RY1
SCHEMBL18992206 0.86 TYMP (0.40) TYMPP2RY12GAPDHP2RY2P2RY1

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
US-11597932-B2 Chirally-enriched double-stranded RNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2023-03-07 — — US disclosed
US-20210207144-A1 CHIRALLY-ENRICHED DOUBLE-STRANDED RNA AGENTS BANK OF AMERICA, N.A. 2021-07-08 — — US disclosed
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