SCHEMBL4433601

SCHEMBL4433601

CC1C=CCC(O)C1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
APEX1 P27695 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ABAT P80404 1/20 0.34

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
SCHEMBL4433599 1.00 POLB (0.54) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL1196635 0.81 POLB (0.56) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL13299390 0.81 POLB (0.56) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL7198847 0.81 POLB (0.56) POLBTDP1CTDSP1APEX1ALDH1A1
Calcium SCHEMBL30537007 0.79 POLB (0.54) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL28682634 0.79 POLB (0.54) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL29043702 0.79 POLB (0.54) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL13299380 0.78 POLB (0.52) POLBTDP1CTDSP1APEX1ALDH1A1
Formaldehyde SCHEMBL27701121 0.78 POLB (0.52) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL1901950 0.75 POLB (0.48) POLBTDP1CTDSP1APEX1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036936-B1 OXYGEN-ABSORBING RESIN, OXYGEN-ABSORBING RESIN COMPOSITIONS AND OXYGEN-ABSORBING CONTAINERS TOYO SEIKAN GROUP HOLDINGS LTD (JP) 2018-06-06 EP disclosed
CN-101466761-B Oxygen-absorbing resin, oxygen-absorbing resin compositions and oxygen-absorbing containers TOYO SEIKAN KAISHA LTD 2012-06-13 CN disclosed
CN-101466761-A Oxygen-absorbing resin, oxygen-absorbing resin compositions and oxygen-absorbing containers TOYO SEIKAN KAISHA LTD (JP) 2009-06-24 CN disclosed
EP-2036936-A1 OXYGEN-ABSORBING RESIN, OXYGEN-ABSORBING RESIN COMPOSITIONS AND OXYGEN-ABSORBING CONTAINERS Toyo Seikan Kaisha, Ltd. (JP) 2009-03-18 EP disclosed