SCHEMBL16155394

SCHEMBL16155394

C=CC[C@@](C)(OC)[C@H]1COC(C)(C)O1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 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
SCHEMBL20193683 1.00 CA2 (0.30) CA2
SCHEMBL16155393 0.79 PTPN1 (0.36)
SCHEMBL20193684 0.79 PTPN1 (0.36)
SCHEMBL13656363 0.77 PTPN1 (0.34)
SCHEMBL16155408 0.75
SCHEMBL20193628 0.75
SCHEMBL19506798 0.72 CA2 (0.32) CA2
SCHEMBL20191620 0.72 CA2 (0.32) CA2
SCHEMBL20191716 0.72
SCHEMBL20191623 0.71

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-9982005-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-29 US disclosed
WO-2014165792-A2 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-09 WO disclosed