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SCHEMBL17546561

SCHEMBL17546561

CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(CCC(=O)OCC(COCC(COC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)(OC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)(OC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 11/20 0.35
▸ GAA P10253 2/20 0.34
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL16790504 0.87 VCAM1 (0.38) VCAM1GAAKMT2A
SCHEMBL17171726 0.86 VCAM1 (0.38) VCAM1GAAKMT2A
SCHEMBL17171730 0.84 CYP4F2 (0.43) VCAM1GAAKMT2A
SCHEMBL17171782 0.83 VCAM1 (0.33) VCAM1GAAKMT2A
SCHEMBL17171727 0.82 VCAM1 (0.39) VCAM1GAAKMT2A
SCHEMBL17546542 0.82 GAA (0.39) VCAM1GAAKMT2A
SCHEMBL22678399 0.82 VCAM1 (0.35) VCAM1GAAKMT2A
SCHEMBL17171725 0.82 VCAM1 (0.51) VCAM1GAAKMT2A
SCHEMBL19103204 0.81 VCAM1 (0.36) VCAM1GAAKMT2A
SCHEMBL19103203 0.81 VCAM1 (0.38) VCAM1GAAKMT2A

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-20170198117-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-07-13 — — US disclosed
US-20170198117-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-07-13 — — US disclosed
WO-2016021315-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME 株式会社ADEKA 2016-02-11 — — WO disclosed
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