SCHEMBL11150577

SCHEMBL11150577

[CH2]CC(O)N(CC=C)CC=C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL2733646 0.77 TSHR (0.30)
SCHEMBL9254460 0.75 THRB (0.31)
SCHEMBL7767568 0.72 KDM4E (0.31)
SCHEMBL526564 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL787268 0.70 MEN1 (0.32) ALDH1A1
SCHEMBL370515 0.70
SCHEMBL6052869 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2363741 0.69 TSHR (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL7975590 0.68 MEN1 (0.31) ALDH1A1
Bromide SCHEMBL11042423 0.68 MEN1 (0.31) ALDH1A1

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
US-4393060-A ANTICANCER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-07-12 US claimed