⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3971957 | 0.85 | NOS3 (0.34) | — | |
| SCHEMBL9720562 | 0.79 | — | — | |
| SCHEMBL5604290 | 0.79 | — | — | |
| SCHEMBL9720444 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL9720449 | 0.77 | CCR4 (0.33) | — | |
| SCHEMBL9720448 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL1727188 | 0.74 | — | — | |
| SCHEMBL2374294 | 0.65 | — | — | |
| SCHEMBL8029519 | 0.65 | — | — | |
| SCHEMBL11219025 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |
| CN-1856305-B | Pyridine derivatives as urotensin II antagonists | ACTELION PHARMACEUTICALS LTD | 2010-04-28 | — | — | CN | disclosed |
| EP-1651234-B1 | COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS | HOFFMANN LA ROCHE (CH) | 2007-09-26 | — | — | EP | disclosed |
| US-7235547-B2 | Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist | HOFFMANN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| CN-1856305-A | Pyridine derivatives and their use as urotensin II antagonists | ACTELION PHARMACEUTICALS LTD (CH) | 2006-11-01 | — | — | CN | disclosed |
| EP-1651234-A1 | COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-03 | — | — | EP | disclosed |
| US-20050049243-A1 | Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist | HOFFMANN-LA ROCHE INC. | 2005-03-03 | — | — | US | disclosed |
| WO-2005014002-A1 | COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-17 | — | — | WO | disclosed |
| EP-0215435-B1 | 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| US-4831026-A | ANTIBIOTICS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-05-16 | — | — | US | disclosed |
| EP-0215435-A1 | 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-03-25 | — | — | EP | disclosed |