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SCHEMBL4418446

SCHEMBL4418446

CC(C)(O)C(=O)c1ccc(C(OC(=O)NCCCCCCNC(=O)OCCOCCOCCOC(=O)NCCCCCCNC(=O)OC(c2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.37
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL4428556 1.00 ACHE (0.37) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3087208 0.91 MLYCD (0.40) MLYCDALDH1A1MGLLNPC1RAB9A
SCHEMBL3076985 0.91 MLYCD (0.40) MLYCDALDH1A1MGLLNPC1RAB9A
SCHEMBL3096274 0.91 MLYCD (0.40) MLYCDALDH1A1MGLLNPC1RAB9A
SCHEMBL4417749 0.90 MLYCD (0.34) MLYCDALDH1A1MGLLNPC1RAB9A
SCHEMBL27978002 0.86 MLYCD (0.37) MLYCDMGLLNPC1RAB9A
SCHEMBL4417610 0.86 MLYCD (0.48) MLYCDALDH1A1MGLL
SCHEMBL27977983 0.86 MLYCD (0.37) MLYCDMGLLNPC1RAB9A
SCHEMBL4414431 0.86 MLYCD (0.48) MLYCDALDH1A1MGLL
SCHEMBL4413063 0.81 DRD2 (0.34) MLYCDLMNAMGLLNPC1RAB9A

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