SCHEMBL4428591

SCHEMBL4428591

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

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ MLYCD O95822 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
SCHEMBL4418223 0.94 — —
SCHEMBL4422397 0.91 HDAC6 (0.31) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL4425487 0.88 — —
SCHEMBL4418533 0.88 — —
SCHEMBL4427206 0.85 — —
SCHEMBL4422392 0.82 ELANE (0.33) MLYCD
SCHEMBL4421789 0.78 SLC6A4 (0.37) LMNA
SCHEMBL4421937 0.78 ELANE (0.31) —
SCHEMBL4418953 0.78 ELANE (0.31) —
SCHEMBL4428080 0.78 ELANE (0.31) —

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
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