SCHEMBL30844899

SCHEMBL30844899

[2H]n1c(=O)c(C)cn([C@@]2(C(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C[C@H](O)[C@@H](CO)O2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.33
RNASE1 P07998 1/20 0.32
GRM2 Q14416 1/20 0.32
CASR P41180 2/20 0.32
TYMS P04818 1/20 0.31
TK1 P04183 3/20 0.31
TK2 O00142 4/20 0.31
SLC6A1 P30531 2/20 0.30
SLC6A11 P48066 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
SCHEMBL8370048 0.92 RNASE1 (0.38) RNASE1TYMSTK1TK2
SCHEMBL29834197 0.87 TK1 (0.36) TYMPRNASE1TYMSTK1TK2
SCHEMBL29834214 0.85 RNASE1 (0.37) RNASE1TK1TK2
SCHEMBL29834215 0.85 RNASE1 (0.37) RNASE1TK1TK2
SCHEMBL7863893 0.84 RNASE1 (0.37) RNASE1GRM2TK1TK2
SCHEMBL1727535 0.84 RNASE1 (0.40) RNASE1TK1TK2
SCHEMBL1706305 0.81 RNASE1 (0.38) RNASE1TK1TK2
SCHEMBL9755145 0.81 RNASE1 (0.38) RNASE1TK1TK2
SCHEMBL7640415 0.78 RNASE1 (0.38) RNASE1TK1TK2
SCHEMBL8920654 0.78 RNASE1 (0.36) RNASE1TK1TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118434751-A Functionalized N-acetylgalactosamine analogues 兆维生物科技公司 2024-08-02 CN disclosed
CN-118317970-A Synthesis of 2' acetyl-ester protected nucleosides 兆维生物科技公司 2024-07-09 CN disclosed
CN-117836307-A Functionalized N-acetylgalactosamine nucleosides 弘景生物科技有限公司 2024-04-05 CN disclosed