SCHEMBL536382

SCHEMBL536382

CCC(O)C(C)(C)O.COCCCOC

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL16621830 0.81
SCHEMBL6543364 0.81
SCHEMBL2669556 0.81
1,3-Propanediol SCHEMBL536383 0.78 TSHR (0.42) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL1333593 0.78
SCHEMBL8219018 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL738846 0.73 TSHR (0.42) TSHRALDH1A1
SCHEMBL27872129 0.69 TSHR (0.40) TSHRALDH1A1
SCHEMBL2270842 0.68 TSHR (0.37) TSHR
SCHEMBL1534866 0.67 ALDH1A1 (0.34) TSHRALDH1A1

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
EP-2415847-A1 ALUMINUM OXIDE PHOSPHOR AND METHOD FOR PRODUCING SAME Hiroshima University (JP) 2012-02-08 EP disclosed