SCHEMBL20031350

SCHEMBL20031350

CCC(CN)CC/C=C(\C)F

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL20031122 0.83 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL243606 0.70
SCHEMBL3123775 0.70
SCHEMBL18870064 0.70
SCHEMBL16241036 0.69 ALDH1A1 (0.68) ALDH1A1TDP1
SCHEMBL27860765 0.69 ALOX15 (0.48) ALDH1A1
SCHEMBL13468650 0.69
SCHEMBL13594456 0.68 ALDH1A1 (0.48) ALDH1A1TDP1
SCHEMBL8330739 0.68 ALDH1A1 (0.48) ALDH1A1TDP1
SCHEMBL30825877 0.68

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-2018060088-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES AS FUNGICIIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed