SCHEMBL20880754

SCHEMBL20880754

CCCC(C)(C)NC(C)O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL10528786 0.84 FDPS (0.33)
SCHEMBL11473881 0.79
SCHEMBL14509766 0.79 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL7964454 0.77 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL16271123 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21477979 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1688126 0.75 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL6914342 0.74
SCHEMBL24021227 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21538851 0.72 MMP8 (0.31)

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
EP-3102563-B1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2019-04-10 EP disclosed