⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18069 | 0.59 | — | — | |
| SCHEMBL17043 | 0.52 | — | — | |
| SCHEMBL12808541 | 0.49 | — | — | |
| SCHEMBL37684 | 0.47 | — | — | |
| SCHEMBL2139113 | 0.47 | — | — | |
| SCHEMBL3528169 | 0.46 | — | — | |
| SCHEMBL3727885 | 0.46 | — | — | |
| SCHEMBL13505442 | 0.46 | — | — | |
| SCHEMBL10952924 | 0.45 | — | — | |
| SCHEMBL15066 | 0.43 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1706147-A2 | COMBINATION THERAPY WITH 5-HT sb 1A /sb AND 5-HT sb 1B /sb RECEPTOR ANTAGONISTS | Recordati Ireland Limited (IE) | 2006-10-04 | — | — | EP | claimed |
| WO-2005070460-A2 | COMBINATION THERAPY WITH 5-HT1A AND 5-HT1B RECEPTOR ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2005-08-04 | — | — | WO | claimed |
| EP-1802594-A1 | NOVEL OXADIAZINONE DERIVATIVES AND USE THEREOF AS PPAR-ALPHA MODULATORS | Bayer HealthCare AG (DE) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006040002-A1 | NOVEL OXADIAZINONE DERIVATIVES AND USE THEREOF AS PPAR-ALPHA MODULATORS | BAYER HEALTHCARE AG (DE) | 2006-04-20 | — | — | WO | disclosed |
| US-6627627-B2 | Useful as psychotherapeutic agents | PFIZER INC. | 2003-09-30 | — | — | US | disclosed |
| EP-1153922-A1 | HETERODIAZINONE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-5728698-A | AGRICULTURAL USE, RICE, WHEAT | ROHM AND HAAS COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5726176-A | FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES | ROHM AND HAAS COMPANY (US) | 1998-03-10 | — | — | US | disclosed |
| US-5246928-A | Cardiovascular disorders | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-09-21 | — | — | US | disclosed |
| US-5066653-A | Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1991-11-19 | — | — | US | disclosed |
| US-4906628-A | N-phenylpyridone type III phosphodiesterases | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-03-06 | — | — | US | disclosed |
| US-4782066-A | NEMATOCIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1988-11-01 | — | — | US | disclosed |
| US-4670555-A | NEMATOCIDES, MITICIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1987-06-02 | — | — | US | disclosed |
| EP-0220044-A2 | 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-04-29 | — | — | EP | disclosed |