SCHEMBL9541836

SCHEMBL9541836

CC=C(CC)COC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL28565934 0.83 ALDH1A1 (0.43) FFAR3SOAT1ALDH1A1
SCHEMBL9998249 0.81 ALDH1A1 (0.46) SOAT1ALDH1A1
SCHEMBL9541830 0.81 SOAT1 (0.33) SOAT1ALDH1A1
SCHEMBL9998251 0.81 ALDH1A1 (0.46) SOAT1ALDH1A1
SCHEMBL9541833 0.81 SOAT1 (0.33) SOAT1ALDH1A1
SCHEMBL27551705 0.74 MGAM (0.43) ALDH1A1
SCHEMBL7434547 0.74
Bicarbonate SCHEMBL4362323 0.73 FFAR3 (0.47) FFAR3SOAT1ALDH1A1
SCHEMBL10990152 0.73
SCHEMBL8503765 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805273-A 2-ethyl-2, 3-epoxybutoxy compound 捷恩智株式会社 2021-05-14 CN disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed