SCHEMBL4450858

SCHEMBL4450858

CCOC(C)(CC)C(C)(C)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28182011 0.79 CYP2D6 (0.30)
Ammonia Solution, Strong SCHEMBL28901374 0.77 FDPS (0.30)
SCHEMBL17811627 0.77 TSHR (0.33) TSHRTDP1
SCHEMBL13222584 0.72 TSHR (0.30) TSHRTDP1
SCHEMBL7852352 0.72 SMPD1 (0.40)
SCHEMBL14878799 0.71 ALDH1A1 (0.30)
SCHEMBL1938740 0.71
SCHEMBL605277 0.69
SCHEMBL604334 0.69
SCHEMBL2043882 0.69

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
US-20090061267-A1 POWER DEVICE AND OXYGEN GENERATOR BATTELLE MEMORIAL INSTITUTE (US) 2009-03-05 US disclosed