Sugi Predict

Sugi Predict / Compounds / SCHEMBL10034832

SCHEMBL10034832

SCHEMBL10034832

C=C1OCC(COCCC[Si](C)(C)OCCCCOCC2COC(=O)O2)O1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10034835 0.93 TSHR (0.39) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL12604000 0.90 SMN1; SMN2 (0.32) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL18357299 0.86 TSHR (0.42) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL9880246 0.84 TSHR (0.36) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL12313901 0.82 TSHR (0.37) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL10034830 0.80 TSHR (0.35) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL15440624 0.80 TSHR (0.35) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL4122685 0.80 TSHR (0.35) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL15672320 0.80 TSHR (0.35) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL12972095 0.79 TSHR (0.39) TSHRALDH1A1TDP1SMN1; SMN2

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-9391345-B2 Non-aqueous electrolytes for electrochemical cells UCHICAGO ARGONNE, LLC (US) 2016-07-12 — — US disclosed
US-20120082890-A1 NON-AQUEOUS ELECTROLYTES FOR ELECTROCHEMICAL CELLS UCHICAGO ARGONNE, LLC 2012-04-05 — — US disclosed