SCHEMBL25875678

SCHEMBL25875678

CCC(=O)C(C)(C)CC(C)(C)S

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
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
SCHEMBL269347 0.79 TDP1 (0.33) TDP1FFAR3ALDH1A1
SCHEMBL20018247 0.75 TDP1 (0.30) TDP1FFAR3ALDH1A1
SCHEMBL12606535 0.75 TDP1 (0.30) TDP1FFAR3ALDH1A1
SCHEMBL22886829 0.75 TDP1 (0.30) TDP1FFAR3ALDH1A1
SCHEMBL9947047 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11979743 0.74 TSHR (0.38) ALDH1A1
SCHEMBL14587061 0.73
SCHEMBL269386 0.73
SCHEMBL22791615 0.73
SCHEMBL23542334 0.72 ALDH1A1 (0.32) TDP1ALDH1A1

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-2023134835-A1 COATED PAPER WITH A SEMI-CRYSTALLINE COATING COLOUR LAYER AS PACKAGING MATERIAL KOEHLER INNOVATION & TECHNOLOGY GMBH (DE) 2023-07-20 WO disclosed