SCHEMBL13747553

SCHEMBL13747553

C=C(C(=O)O)C(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL14886253 0.77 TSHR (0.33) TSHR
SCHEMBL8106091 0.75
SCHEMBL271740 0.74
SCHEMBL16080812 0.72
SCHEMBL14886363 0.72
SCHEMBL2390662 0.71 TSHR (0.47) ALDH1A1TSHR
SCHEMBL28446602 0.71 TSHR (0.47) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL3498578 0.71 TSHR (0.47) ALDH1A1TSHR
SCHEMBL28233227 0.71 TSHR (0.47) ALDH1A1TSHR
Water SCHEMBL11633420 0.71 TSHR (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed