SCHEMBL9541538

SCHEMBL9541538

C=CCC(C)(C)OC([O])=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
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
SCHEMBL9541542 0.84 HTT (0.37) ALDH1A1TSHR
SCHEMBL18378114 0.84 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL5804465 0.82 GAA (0.41) ALDH1A1TSHR
SCHEMBL3666505 0.80 TSHR (0.38) ALDH1A1TSHR
SCHEMBL9860291 0.80 HCAR2 (0.33) ALDH1A1
SCHEMBL9861013 0.80 HCAR2 (0.33) ALDH1A1
SCHEMBL11602378 0.80 HTT (0.35) ALDH1A1TSHR
SCHEMBL3675285 0.77 ALDH1A1 (0.38) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28066833 0.77 MAPT (0.35) ALDH1A1
SCHEMBL24131045 0.74

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