SCHEMBL21139376

SCHEMBL21139376

C=C/C=C\C(\C=C\C(C)=O)=C/C

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL15684690 0.82 TSHR (0.41) ALDH1A1
SCHEMBL17067247 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6359402 0.80
SCHEMBL6359403 0.80
SCHEMBL19771799 0.78
SCHEMBL28995878 0.78
SCHEMBL24351701 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9480208 0.75
SCHEMBL28995928 0.75
SCHEMBL27272039 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-2019111265-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SHARE GAL RESEARCH AND DEVELOPMENT LTD (IL) 2019-06-13 WO disclosed