SCHEMBL4414827

SCHEMBL4414827

COCCOC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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 0.94 SLC6A4 (0.37) SLC6A4SLC6A3HTTADRA1A
SCHEMBL3090334 0.89 SLC6A4 (0.35) SLC6A4SLC6A3HTR1A
SCHEMBL4427917 0.89 SLC6A4 (0.35) SLC6A4SLC6A3HTR1A
SCHEMBL4429409 0.89 SLC6A4 (0.35) SLC6A4SLC6A3HTR1A
SCHEMBL4423624 0.89 SLC6A4 (0.35) SLC6A4SLC6A3HTR1A
SCHEMBL4428061 0.89 SLC6A4 (0.35) SLC6A4SLC6A3HTR1A
SCHEMBL4421960 0.89 SLC6A4 (0.35) SLC6A4SLC6A3HTR1A
SCHEMBL4418976 0.89 SLC6A4 (0.35) SLC6A4SLC6A3HTR1A
SCHEMBL4421939 0.89 SLC6A4 (0.35) SLC6A4SLC6A3HTR1A
SCHEMBL4424402 0.89 SLC6A4 (0.36) SLC6A4SLC6A3HTTADRA1A

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