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Sugi Predict / Compounds / SCHEMBL31034815

SCHEMBL31034815

SCHEMBL31034815

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(COC(C)=O)c(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.34
▸ TYMP P19971 2/20 0.33
▸ RNASE1 P07998 1/20 0.33

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
SCHEMBL13952067 0.89 RNASE1 (0.40) TYMSTYMPRNASE1
SCHEMBL14771517 0.89 RNASE1 (0.40) TYMSTYMPRNASE1
SCHEMBL28600193 0.89 RNASE1 (0.40) TYMSTYMPRNASE1
SCHEMBL22984007 0.89 RNASE1 (0.40) TYMSTYMPRNASE1
SCHEMBL13901245 0.89 RNASE1 (0.40) TYMSTYMPRNASE1
SCHEMBL24263898 0.89 TYMS (0.35) TYMSTYMPRNASE1
SCHEMBL9550769 0.89 RNASE1 (0.40) TYMSTYMPRNASE1
SCHEMBL2031822 0.89 RNASE1 (0.40) TYMSTYMPRNASE1
SCHEMBL13930549 0.89 RNASE1 (0.40) TYMSTYMPRNASE1
SCHEMBL13337928 0.89 TYMP (0.32) TYMSTYMPRNASE1

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
US-20240264142-A1 MOLECULAR DETECTION AND COUNTING USING NANOPORES ROCHE SEQUENCING SOLUTIONS INC (US) 2024-08-08 — — US disclosed