SCHEMBL9724865

SCHEMBL9724865

CCC(C)CC(O)CC(CC)CCCO

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
SCHEMBL4891431 0.88 THRB (0.32) ALDH1A1
SCHEMBL27809448 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL27240038 0.84 TSHR (0.33) ALDH1A1
SCHEMBL11212284 0.79 TSHR (0.36)
SCHEMBL9724858 0.78 ACE2 (0.32)
SCHEMBL27621433 0.78 ALDH1A1 (0.54) ALDH1A1
SCHEMBL8607642 0.77 ALDH1A1 (0.44) ALDH1A1
SCHEMBL28272544 0.77 ALDH1A1 (0.44) ALDH1A1
SCHEMBL6241547 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL4890807 0.76 THRB (0.37) 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-5100579-A POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1992-03-31 US disclosed