SCHEMBL9660346

SCHEMBL9660346

C=CC(C)(CCc1c(C)c(OC)c(C)c(C)c1O)OC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.35

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
SCHEMBL9660025 0.92 IMPDH2 (0.34) IMPDH2
SCHEMBL9660062 0.90 IMPDH2 (0.31) IMPDH2
SCHEMBL9660324 0.89 IMPDH2 (0.38) IMPDH2
SCHEMBL9659211 0.83 LMNA (0.38)
SCHEMBL9658145 0.79 IMPDH2 (0.35) IMPDH2
SCHEMBL9658136 0.79 IMPDH2 (0.35) IMPDH2
SCHEMBL9658140 0.79 IMPDH2 (0.35) IMPDH2
SCHEMBL9659185 0.71 PTPN1 (0.40)
SCHEMBL9659182 0.71 PTPN1 (0.40)
SCHEMBL9658122 0.69 ALOX15 (0.34) IMPDH2

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-5110955-A Chiral rhodium or palladium-diphosphine catalyst HOFFMANN-LA ROCHE INC. (US) 1992-05-05 US disclosed
EP-0392389-A2 Process for the preparation of vinyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1990-10-17 EP disclosed