SCHEMBL16481985

SCHEMBL16481985

C=CC(C)(CC(C)C)OC=O

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23244046 0.77 MEN1 (0.46) TDP1
SCHEMBL12390042 0.76 MEN1 (0.31)
SCHEMBL6717975 0.76
SCHEMBL16481092 0.73 TDP1 (0.32) TDP1
SCHEMBL6779254 0.73 TDP1 (0.43) TDP1
SCHEMBL16481091 0.70 MEN1 (0.39)
SCHEMBL3035037 0.70 TDP1 (0.40) TDP1
SCHEMBL16481361 0.70 TDP1 (0.40) TDP1
SCHEMBL16481093 0.69 MEN1 (0.41)
SCHEMBL10898342 0.68 TDP1 (0.39) TDP1

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-2014056849-A1 FLAVOR AND FRAGRANCE FORMULATION (IV) DSM IP ASSETS B.V. (NL) 2014-04-17 WO disclosed