SCHEMBL4422002

SCHEMBL4422002

CC(C)(O)C(=O)c1ccc(C(OCCO)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.35
SLC6A3 Q01959 8/20 0.35
SLC6A2 P23975 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
SCHEMBL4421789 0.92 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL4420979 0.91 SLC6A4 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL3087935 0.91 SLC6A4 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL4415866 0.91 SLC6A4 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL4423429 0.91 SLC6A4 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL4424402 0.90 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL4425421 0.90 GAA (0.34) SLC6A4SLC6A3
SCHEMBL4418252 0.90 GAA (0.34) SLC6A4SLC6A3
SCHEMBL4418480 0.89 GAA (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL4427246 0.89 GAA (0.38) SLC6A4SLC6A3SLC6A2

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