SCHEMBL24725528

SCHEMBL24725528

C[C@H]1C(=O)CO[C@@]1(C)C(F)(F)F

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
SCHEMBL30856748 0.64 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL24780441 0.64 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL13992911 0.63 TP53 (0.33)
SCHEMBL12191585 0.60
SCHEMBL4829865 0.60
SCHEMBL30663809 0.60
SCHEMBL12994703 0.60
SCHEMBL31517936 0.59
SCHEMBL1902505 0.57
SCHEMBL24780953 0.57 BACE1 (0.33)

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-2022256676-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed