SCHEMBL29319490

SCHEMBL29319490

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

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
SCHEMBL13783018 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14578007 0.81 TDP1 (0.32) ALDH1A1
SCHEMBL11997808 0.80 MGAM (0.37)
SCHEMBL13248689 0.79
SCHEMBL13248671 0.76
SCHEMBL16521500 0.76
SCHEMBL12198845 0.75
SCHEMBL12901683 0.75
SCHEMBL12757058 0.75
SCHEMBL6992312 0.73

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-20240241460-A1 TONER CANON KABUSHIKI KAISHA (JP) 2024-07-18 US disclosed