SCHEMBL13683696

SCHEMBL13683696

CC1(C)O[C@@H]2[C@@H](O)[C@@H]3OC(C)(C)O[C@H]3[C@](C)(O)[C@@H]2O1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MGAM2 Q2M2H8 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
SCHEMBL1320292 0.79 MGAM (0.36) MGAMCA1CA2GAASI
SCHEMBL3867661 0.79 MGAM (0.36) MGAMCA1CA2GAASI
SCHEMBL7153517 0.79 MGAM (0.36) MGAMCA1CA2GAASI
SCHEMBL5546539 0.79 MGAM (0.36) MGAMCA1CA2GAASI
SCHEMBL1321477 0.79 MGAM (0.36) MGAMCA1CA2GAASI
SCHEMBL7152621 0.79 MGAM (0.36) MGAMCA1CA2GAASI
SCHEMBL17827504 0.79 MGAM (0.36) MGAMCA1CA2GAASI
SCHEMBL5546534 0.71 CA2 (0.35) MGAMCA1CA2GAASI
SCHEMBL14215490 0.71 CA2 (0.35) MGAMCA1CA2GAASI
SCHEMBL9767712 0.71 CA2 (0.35) MGAMCA1CA2GAASI

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-7589072-B2 Inositol-based molecular transporters and processes for the preparation thereof POSTECH FOUNDATION (KR) 2009-09-15 — — US disclosed
US-7589072-B2 Inositol-based molecular transporters and processes for the preparation thereof POSTECH FOUNDATION (KR) 2009-09-15 — — US disclosed
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