SCHEMBL9540495

SCHEMBL9540495

CC=CC(C)(C)OC(=O)O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL9540490 0.82
SCHEMBL13783916 0.82 GAA (0.39) ALDH1A1TSHR
SCHEMBL9540493 0.82
SCHEMBL672582 0.78 TSHR (0.34) ALDH1A1TSHR
SCHEMBL9541426 0.76
SCHEMBL674287 0.75 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL13220247 0.73
Propene SCHEMBL2687445 0.70 DGAT1 (0.37) ALDH1A1TSHR
SCHEMBL19100506 0.70
SCHEMBL8788693 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
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed