SCHEMBL7782344

SCHEMBL7782344

FC1CCC[C@H]2CCCC[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL24425432 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL24425431 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL367411 1.00 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28359482 0.97 ALDH1A1 (0.37) ALDH1A1
SCHEMBL23190416 0.94 ALDH1A1 (0.39) ALDH1A1
SCHEMBL24425429 0.94 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6135725 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19311595 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7137496 0.79 MAPT (0.37) ALDH1A1
SCHEMBL21169703 0.78 ALDH1A1 (0.30) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140734-A1 PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS F2 Chemicals Limited (GB) 2001-10-10 EP disclosed
WO-2001028959-A1 PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS F2 CHEMICALS LTD. (GB) 2001-04-26 WO disclosed