SCHEMBL16389147

SCHEMBL16389147

CCCCC1CCOS1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CYP1A2 P05177 4/20 0.35
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL12345767 0.94 EPHX1 (0.44) EPHX1CYP1A2HPGDALDH1A1MEN1
SCHEMBL14369286 0.89 EPHX1 (0.33) EPHX1CYP1A2
SCHEMBL17735433 0.81 EPHX1 (0.44) EPHX1CYP1A2HPGDALDH1A1MEN1
SCHEMBL8677609 0.80
SCHEMBL12345774 0.78 ALDH1A1 (0.37) EPHX1CYP1A2ALDH1A1
SCHEMBL17922757 0.76
SCHEMBL12345768 0.72 ALDH1A1 (0.45) EPHX1CYP1A2HPGDALDH1A1
SCHEMBL12345772 0.71 ALDH1A1 (0.48) EPHX1CYP1A2HPGDALDH1A1
SCHEMBL12345764 0.71 ALDH1A1 (0.48) EPHX1CYP1A2HPGDALDH1A1
SCHEMBL15097101 0.71 EPHX1 (0.41) EPHX1CYP1A2POLBHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160133992-A1 DRYING OF ELECTROLYTE MIXTURES CONTAINING ACIDS WITH MOLECULAR SIEVES BASF SE (DE) 2016-05-12 US disclosed
US-20160133992-A1 DRYING OF ELECTROLYTE MIXTURES CONTAINING ACIDS WITH MOLECULAR SIEVES BASF SE (DE) 2016-05-12 US disclosed
WO-2015004236-A1 DRYING OF ELECTROLYTE MIXTURES CONTAINING ACIDS WITH MOLECULAR SIEVES BASF SE (DE) 2015-01-15 WO disclosed