SCHEMBL5831367

SCHEMBL5831367

CC(C)(C)CC(C)(CO)OO

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 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
SCHEMBL5831494 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5831363 0.70
SCHEMBL75111 0.67 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL7598260 0.67 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL13661675 0.65
SCHEMBL13143277 0.63
SCHEMBL5549506 0.63
SCHEMBL5832169 0.63
SCHEMBL2625536 0.63 MEN1 (0.30) ALDH1A1TSHR
SCHEMBL9203431 0.63 ALDH1A1 (0.37) ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132092-B2 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-07 US disclosed
US-20050090688-A1 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 US disclosed
EP-1473275-A1 METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed