SCHEMBL22907221

SCHEMBL22907221

CCC(CC)CC(OC)OC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14481521 0.84 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL28135354 0.80 ALDH1A1 (0.54) ALDH1A1TDP1
SCHEMBL22006082 0.80 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL3731262 0.75
SCHEMBL9106 0.75
SCHEMBL12323796 0.75 TSHR (0.33) ALDH1A1
SCHEMBL27888164 0.75 TSHR (0.33) ALDH1A1
SCHEMBL9527402 0.75 TSHR (0.32) ALDH1A1TDP1
SCHEMBL15821613 0.75 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL15821614 0.75 ALDH1A1 (0.34) ALDH1A1TDP1

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed