⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL55047 | 1.00 | — | — | |
| SCHEMBL791249 | 1.00 | — | — | |
| SCHEMBL1041254 | 1.00 | — | — | |
| SCHEMBL2107037 | 1.00 | — | — | |
| SCHEMBL55048 | 1.00 | — | — | |
| SCHEMBL2932270 | 1.00 | — | — | |
| SCHEMBL3518225 | 1.00 | — | — | |
| SCHEMBL2687210 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL2340361 | 0.97 | — | — | |
| SCHEMBL28118146 | 0.97 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3019624-B1 | BIOMARKERS OF AUTISM SPECTRUM DISORDER | STEMINA BIOMARKER DISCOVERY INC (US) | 2020-09-16 | — | — | EP | disclosed |
| US-20190072569-A1 | BIOMARKERS OF AUTISM SPECTRUM DISORDER | STEMINA BIOMARKER DISCOVERY, INC. | 2019-03-07 | — | — | US | disclosed |
| US-10060932-B2 | Biomarkers of autism spectrum disorder | STEMINA BIOMARKER DISCOVERY, INC. (US) | 2018-08-28 | — | — | US | disclosed |
| US-20170242005-A1 | METHOD AND KIT FOR DETECTION OF MYCOBACTERIA | BANGOR UNIVERSITY (GB) | 2017-08-24 | — | — | US | disclosed |
| US-20160169915-A1 | BIOMARKERS OF AUTISM SPECTRUM DISORDER | STEMINA BIOMARKER DISCOVERY, INC. | 2016-06-16 | — | — | US | disclosed |
| US-9062028-B2 | Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-06-23 | — | — | US | disclosed |
| US-8889894-B2 | Compounds for use in therapy | BANGOR UNIVERSITY (GB) | 2014-11-18 | — | — | US | disclosed |
| US-8728515-B2 | Adjuvants for use in vaccination | BANGOR UNIVERSITY (GB) | 2014-05-20 | — | — | US | disclosed |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | disclosed |
| US-20070197585-A1 | Use of cysteinyl leukotriene 2 receptor antagonists | EVANS JILLY | 2007-08-23 | — | — | US | disclosed |
| WO-2007062664-A2 | ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES | NUEVOLUTION A/S (DK) | 2007-06-07 | — | — | WO | disclosed |
| EP-1727533-A1 | USE OF CYSTEINYL LEUKOTRIENE 2 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005082346-A1 | USE OF CYSTEINYL LEUKOTRIENE 2 RECEPTOR ANTAGONISTS | MERCK & CO, INC. (US) | 2005-09-09 | — | — | WO | disclosed |
| US-20030083225-A1 | Organolipic substance | NATIONAL BANK OF CANADA (CA) | 2003-05-01 | — | — | US | disclosed |
| EP-0774452-B1 | Optically active compounds having plural chiral centers and the production thereof | CHISSO CORP (JP) | 2000-01-26 | — | — | EP | disclosed |
| EP-0428392-B1 | Processes for the preparation of optically active compounds having plural chiral centers | CHISSO CORP (JP) | 1998-05-27 | — | — | EP | disclosed |
| EP-0774452-A1 | Optically active compounds having plural chiral centers and the production thereof | Chisso Corporation (JP) | 1997-05-21 | — | — | EP | disclosed |
| US-5574182-A | HYDROLYSING 3-HYDROXYCARBOXYLIC ACID, CYCLIZING ESTER TO FORM 1,3-DIOXAN-4-ONE, DECYCLIZATION AND ESTERIFICATION | CHISSO CORPORATION (JP) | 1996-11-12 | — | — | US | disclosed |
| US-5348870-A | Using hydrolase to effect ester interchange and resolution, then alcoholysis or hydrolysis and dehydration with cyclization and crystallization | CHISSO CORPORATION (JP) | 1994-09-20 | — | — | US | disclosed |
| EP-0428392-A2 | Optically active compounds having plural chiral centers and the production thereof | Chisso Corporation (JP) | 1991-05-22 | — | — | EP | disclosed |