⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10783525 | 0.80 | — | — | |
| SCHEMBL466469 | 0.72 | CYP1A2 (0.33) | — | |
| SCHEMBL7170663 | 0.72 | CTSD (0.36) | — | |
| SCHEMBL15236107 | 0.71 | — | — | |
| SCHEMBL11572853 | 0.70 | MAPT (0.32) | — | |
| SCHEMBL4253776 | 0.70 | CYP1A2 (0.32) | — | |
| SCHEMBL6868130 | 0.69 | RAB9A (0.40) | — | |
| SCHEMBL301095 | 0.67 | — | — | |
| SCHEMBL13639508 | 0.67 | — | — | |
| SCHEMBL10898284 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3623172-A1 | TIRE | Bridgestone Corporation (JP) | 2020-03-18 | — | — | EP | disclosed |
| US-9504675-B2 | Alpha-ketoheterocycles and methods of making and using | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-11-29 | — | — | US | disclosed |
| EP-2670245-B1 | ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING | SCRIPPS RESEARCH INST (US) | 2015-09-09 | — | — | EP | disclosed |
| US-20130338196-A1 | ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING | THE SCRIPPS RESEARCH INSTITUTE (US) | 2013-12-19 | — | — | US | disclosed |
| EP-2670245-A1 | ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING | The Scripps Research Institute (US) | 2013-12-11 | — | — | EP | disclosed |
| WO-2012106569-A1 | ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING | BOGER DALE L (US) | 2012-08-09 | — | — | WO | disclosed |
| CN-100418955-C | Novel Benzo-fused heterocycles | ACTELION PHARMOUEUTICALS LTD (CH) | 2008-09-17 | — | — | CN | disclosed |
| US-7238685-B2 | Benzo-fused heterocycles as endothelin antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-07-03 | — | — | US | disclosed |
| US-20050124605-A1 | Novel benzo-fused heterocycles as endothelin antagonisits | ACTELION PHARMACEUTICALS LTD. | 2005-06-09 | — | — | US | disclosed |
| CN-1538848-A | Novel Benzo-fused heterocycles | ������˹ҩƷ��˾ | 2004-10-20 | — | — | CN | disclosed |
| WO-2003013545-A1 | NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS | ACTELION PHARMACEUTICALS LTD (CH) | 2003-02-20 | — | — | WO | disclosed |