SCHEMBL21295501

SCHEMBL21295501

C=CC(C)(C)O.C=COC(C)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 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
SCHEMBL36650 0.84
Ammonia Solution, Strong SCHEMBL6141041 0.82
Ethylene SCHEMBL7734471 0.82
Isopropyl Alcohol SCHEMBL28132679 0.79 ALDH1A1 (0.40) MEN1CYP3A4ALOX15KMT2A
SCHEMBL129187 0.72
SCHEMBL12233189 0.70
SCHEMBL28497774 0.69
Tert-Butanol SCHEMBL15510638 0.69 ALOX15 (0.36) MEN1CYP3A4ALOX15KMT2A
Ammonia Solution, Strong SCHEMBL11504576 0.69
SCHEMBL3141382 0.67

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
WO-2019163739-A1 POLYVINYL ALCOHOL-BASED POLYMER 日本酢ビ・ポバール株式会社 2019-08-29 WO disclosed