SCHEMBL17865804

SCHEMBL17865804

C=C(CCCCOC(=O)C(=C)CCO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
TBXAS1 P24557 2/20 0.36
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5590452 0.95 TSHR (0.34) TSHRTBXAS1
SCHEMBL5077278 0.93 GPR84 (0.38) TSHRTBXAS1POLBAPEX1HTT
SCHEMBL1651672 0.93 TBXAS1 (0.40) TSHRTBXAS1POLBAPEX1HTT
SCHEMBL17313537 0.91 GPR84 (0.41) TSHRTBXAS1POLBAPEX1HTT
SCHEMBL2284870 0.91 GPR84 (0.41) TSHRTBXAS1POLBAPEX1HTT
SCHEMBL7713658 0.91 GPR84 (0.41) TSHRTBXAS1POLBAPEX1HTT
SCHEMBL5509652 0.91 GPR84 (0.41) TSHRTBXAS1POLBAPEX1HTT
SCHEMBL5138767 0.91 GPR84 (0.41) TSHRTBXAS1POLBAPEX1HTT
SCHEMBL5504718 0.89 GPR84 (0.38) TSHRTBXAS1
SCHEMBL1648944 0.87 TBXAS1 (0.37) TSHRTBXAS1

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-20180085704-A1 COMPOSITIONS COMPRISING VINYLIDENE FLUORIDE POLYMERS AND ADSORBENT CARBON MATERIALS SYENSQO SA (BE) 2018-03-29 US disclosed
EP-3037473-B1 Compositions comprising vinylidene fluoride polymers and adsorbent carbon materials SOLVAY (BE) 2017-11-08 EP disclosed
EP-3037473-A1 Compositions comprising vinylidene fluoride polymers and adsorbent carbon materials Solvay SA (BE) 2016-06-29 EP disclosed