SCHEMBL3689809

SCHEMBL3689809

CC(Br)C(=O)OCCCCCCOC(=O)C(C)Br

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX1 P07099 1/20 0.39
FAAH O00519 1/20 0.38
ACHE P22303 6/20 0.38
ZDHHC7 Q9NXF8 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL3685424 1.00 NAAA (0.41) NAAATSHRALDH1A1CYP3A4EPHX1
SCHEMBL3682743 1.00 NAAA (0.41) NAAATSHRALDH1A1CYP3A4EPHX1
SCHEMBL3683189 0.97 NAAA (0.38) NAAATSHRALDH1A1CYP3A4EPHX1
SCHEMBL3678777 0.92 ALDH1A1 (0.37) NAAATSHRALDH1A1CYP3A4EPHX1
SCHEMBL23084724 0.91 ALDH1A1 (0.47) NAAATSHRALDH1A1CYP3A4EPHX1
SCHEMBL11783281 0.91 NAAA (0.55) NAAATSHRALDH1A1EPHX1FAAH
SCHEMBL21811917 0.91 NAAA (0.55) NAAATSHRALDH1A1EPHX1FAAH
SCHEMBL22091902 0.91 NAAA (0.55) NAAATSHRALDH1A1EPHX1FAAH
SCHEMBL52465 0.91 NAAA (0.55) NAAATSHRALDH1A1EPHX1FAAH
SCHEMBL15796074 0.91 NAAA (0.55) NAAATSHRALDH1A1EPHX1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013240-B1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO LTD (JP) 2017-05-31 EP disclosed
US-8492511-B2 Process for the preparation of crosslinked nitroxide polymers PIOTREK CO., LTD. (JP) 2013-07-23 US disclosed
US-8043369-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2011-10-25 US disclosed
US-8043369-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2011-10-25 US disclosed
US-20100317809-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed
US-20100317809-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed
US-20100240858-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2010-09-23 US disclosed
EP-2013240-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2009-01-14 EP disclosed
US-7368525-B2 Polymeric alkoyamines prepared by atom transfer radical addition (ATRA) CIBA SPECIALTY CHEMICALS CORP. (US) 2008-05-06 US disclosed
WO-2007115939-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2007-10-18 WO disclosed
US-20050250884-A1 Polymeric alkoyamines prepared by atom transfer radical addition (atra) CIBA SPECIALTY CHEMICALS CORP. 2005-11-10 US disclosed
EP-1543042-A1 POLYMERIC ALKOXYAMINES PREPARED BY ATOM TRANSFER RADICAL ADDITION (ATRA) Ciba SC Holding AG (CH) 2005-06-22 EP disclosed
WO-2004026915-A1 POLYMERIC ALKOXYAMINES PREPARED BY ATOM TRANSFER RADICAL ADDITION (ATRA) CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-04-01 WO disclosed
US-6657043-B1 Free-radical polymerization initiators; polyalkoxyamines with phosphine derivative substituents ATOFINA (FR) 2003-12-02 US disclosed