Cyclopentanone

Cyclopentanone

SCHEMBL6154580

COC(C)(OC)C(C)=O.O=C1CCCC1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.33

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
SCHEMBL318619 0.79
Cyclopentanone SCHEMBL27697060 0.75 ALDH1A1 (0.53) TRIM24TRIM33ALDH1A1THRB
Cyclohexanone SCHEMBL16059716 0.75 ALDH1A1 (0.58) TRIM24TRIM33ALDH1A1
Cyclopentanone SCHEMBL8150513 0.74 TRIM24 (0.67) TRIM24TRIM33ALDH1A1THRB
Cyclohexanone SCHEMBL17584761 0.73 ALDH1A1 (0.55) TRIM24TRIM33ALDH1A1THRB
Cyclopentanone SCHEMBL3600348 0.71 TRIM24 (0.62) TRIM24TRIM33ALDH1A1THRB
Butanedione SCHEMBL15658503 0.71 TRIM24 (0.62) TRIM24TRIM33ALDH1A1THRB
Cyclohexanone SCHEMBL1071504 0.71 TRIM24 (0.69) TRIM24TRIM33ALDH1A1THRB
Cyclohexanone SCHEMBL29197912 0.69 ALDH1A1 (0.44) TRIM24TRIM33ALDH1A1THRB
Cyclohexanone SCHEMBL3600071 0.69 TRIM24 (0.65) TRIM24TRIM33ALDH1A1THRB

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
EP-1360990-B1 Double-metal cyanide catalysts for preparing polyether polyols BAYER ANTWERPEN NV (BE) 2005-10-12 EP disclosed