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SCHEMBL4422392

SCHEMBL4422392

CC(COC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1)(COC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1)COC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ MLYCD O95822 2/20 0.32
▸ CA2 P00918 1/20 0.31
▸ SRC P12931 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL4418953 0.92 ELANE (0.31) ELANE
SCHEMBL4421789 0.87 SLC6A4 (0.37) SLC6A4SLC6A3
SCHEMBL4418529 0.86 ELANE (0.31) ELANE
SCHEMBL4421937 0.86 ELANE (0.31) ELANE
SCHEMBL4428080 0.86 ELANE (0.31) ELANE
SCHEMBL4424402 0.85 SLC6A4 (0.36) SLC6A4SLC6A3
SCHEMBL4414842 0.85 BCHE (0.36) ELANEMLYCDCA2
SCHEMBL4418465 0.84 MLYCD (0.36) ELANEMLYCDCA2SRC
SCHEMBL4427246 0.84 GAA (0.38) SLC6A4SLC6A3
SCHEMBL4421923 0.84 GAA (0.38) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 — — EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 — — US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 — — US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 — — EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 — — WO disclosed