SCHEMBL23624632

SCHEMBL23624632

COC1C(O)[C@@H](COP(=S)(OCCC#N)OC2C(OC)[C@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)O[C@@H]2CO)O[C@H]1n1cnc2c(NC(=O)c3cccc(C)c3)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ GAPDH P04406 2/20 0.40
▸ P2RY12 Q9H244 1/20 0.37
▸ DNPH1 O43598 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
SCHEMBL23624636 0.86 TYMP (0.44) TAS1R3TAS1R1KDM4EGAPDHP2RY12
SCHEMBL20248745 0.86 TAS1R3 (0.42) TAS1R3TAS1R1KDM4EP2RY12DNPH1
SCHEMBL23624816 0.86 P2RY12 (0.49) ADORA3GAPDHP2RY12DNPH1
SCHEMBL17860500 0.84 TAS1R3 (0.41) TAS1R3TAS1R1KDM4EGAPDHP2RY12
SCHEMBL18490411 0.83 KDM4E (0.40) TAS1R3TAS1R1KDM4EGAPDHP2RY12
SCHEMBL18497652 0.83 KDM4E (0.46) TAS1R3TAS1R1KDM4EGAPDHP2RY12
SCHEMBL20341117 0.83 TAS1R3 (0.41) TAS1R3TAS1R1KDM4EGAPDHP2RY12
SCHEMBL22301419 0.83 KDM4E (0.39) TAS1R3TAS1R1KDM4EGAPDHP2RY12
SCHEMBL22301424 0.83 KDM4E (0.39) TAS1R3TAS1R1KDM4EGAPDHP2RY12
SCHEMBL17860560 0.82 KDM4E (0.40) TAS1R3TAS1R1KDM4EGAPDHP2RY12

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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