SCHEMBL22842235

SCHEMBL22842235

C=C(C)C(=O)OCCOc1cc(OCCOC(=O)C(=C)C)cc(-c2ccc(OC(O)C(C)(C)C)c(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AAK1 Q2M2I8 5/20 0.35
▸ FFAR4 Q5NUL3 5/20 0.34
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CSF3R Q99062 1/20 0.32
▸ LTB4R Q15722 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
SCHEMBL25795370 0.88 POLB (0.37) POLBAPEX1HTTTDP1AAK1
SCHEMBL18820263 0.86 POLB (0.33) POLBAPEX1HTTTDP1AAK1
SCHEMBL22842242 0.85 POLB (0.42) POLBAPEX1HTTTDP1FFAR4
SCHEMBL16559830 0.85 POLB (0.41) POLBAPEX1HTTTDP1AAK1
SCHEMBL16559845 0.84 POLB (0.40) POLBAPEX1HTTTDP1AAK1
SCHEMBL21115722 0.84 POLB (0.37) POLBAPEX1HTTTDP1AAK1
SCHEMBL16559831 0.83 POLB (0.39) POLBAPEX1HTTTDP1AAK1
SCHEMBL19159115 0.83 POLB (0.36) POLBAPEX1HTTTDP1AAK1
SCHEMBL22353022 0.82 POLB (0.37) POLBAPEX1HTTTDP1AAK1
SCHEMBL22814505 0.82 THRB (0.39) POLBAPEX1HTTTDP1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3839620-A1 DEVICE FOR THE REGULATION OF LIGHT TRANSMISSION Merck Patent GmbH (DE) 2021-06-23 — — EP disclosed
EP-3757192-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2020-12-30 — — EP disclosed
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