SCHEMBL9541882

SCHEMBL9541882

C=CC(CC)COC([O])=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.31
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
SCHEMBL9541889 0.83 TSHR (0.36) TSHRHPGDALDH1A1
SCHEMBL28398297 0.82 TSHR (0.59) TSHRHPGDALDH1A1
SCHEMBL28364174 0.77 TSHR (0.36) TSHRALDH1A1
Bicarbonate SCHEMBL28467160 0.77 TSHR (0.38) TSHRALDH1A1
SCHEMBL9543095 0.74
SCHEMBL22550882 0.73 TSHR (0.56) TSHRALDH1A1
Bicarbonate SCHEMBL27540831 0.71 TSHR (0.33) TSHRALDH1A1
SCHEMBL6725832 0.71
SCHEMBL7775019 0.70
SCHEMBL4439269 0.70 TSHR (0.44) 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
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed