⚠ 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 | |
|---|---|---|---|---|
| Cyanoacetamide SCHEMBL163613 | 0.97 | — | — | |
| Cyanoacetamide SCHEMBL28053682 | 0.97 | — | — | |
| Cyanoacetamide SCHEMBL28275993 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL28147655 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL28010329 | 0.94 | MCL1 (0.94) | — | |
| Cyanoacetamide SCHEMBL28242803 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL28248874 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL9555403 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL28064393 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL27848713 | 0.91 | MCL1 (0.88) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050197338-A1 | Substituted pyrazole urea compounds for the treatment of inflammation | PHARMACIA AND UPJOHN COMPANY LLC | 2005-09-08 | — | — | US | disclosed |
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | disclosed |
| EP-0438446-A1 | PYRIDAZINONE-, PYRAZOLONE- AND PYRIDONE-NAPHTHERIDINONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING SAME, AND THEIR USES | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1991-07-31 | — | — | EP | disclosed |
| WO-1991006300-A1 | NAPHTHERIDINONE- AND PYRIDOOXAZINONE-PYRIDONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING SAME, AND THEIR USES | RORER INTERNATIONAL (HOLDINGS), INC. (US) | 1991-05-16 | — | — | WO | disclosed |
| US-5015638-A | Cardiovascular disorders, cardiotonic agents for congestive he art failure | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-05-14 | — | — | US | disclosed |
| WO-1990003790-A1 | PYRIDAZINONE-, PYRAZOLONE- AND PYRIDONE-NAPHTHERIDINONE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING SAME, AND THEIR USES | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1990-04-19 | — | — | WO | disclosed |
| US-4866074-A | Naphtheridinone- and pyridooxazinone-pyridone compounds, cardiotonic compositions including same, and their uses | RORER PHARMACEUTICAL CORPORATION (US) | 1989-09-12 | — | — | US | disclosed |
| EP-0129527-B1 | VULCANISABLE RUBBER COMPOSITION AND COMPOUNDS USEFUL AS STABILISING AGENTS FOR RUBBER VULCANISATES | MONSANTO EUROPE S.A./N.V. (BE) | 1989-07-12 | — | — | EP | disclosed |
| US-4657956-A | Compounds useful as stabilizing agents for rubber vulcanizates | MONSANTO EUROPE, S. A. (BE) | 1987-04-14 | — | — | US | disclosed |
| US-4595721-A | Vulcanizable rubber composition comprising diene rubber, sulfur, accelerator, and stabilizer | MONSANTO EUROPE, S.A. (BE) | 1986-06-17 | — | — | US | disclosed |
| EP-0131301-A2 | Anorexigenic ergot derivatives | FARMITALIA CARLO ERBA S.p.A. (IT) | 1985-01-16 | — | — | EP | disclosed |
| EP-0129527-A2 | Vulcanisable rubber composition and compounds useful as stabilising agents for rubber vulcanisates | MONSANTO EUROPE S.A./N.V. (BE) | 1984-12-27 | — | — | EP | disclosed |
| EP-0008802-B1 | ERGOLINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM | FARMITALIA CARLO ERBA S.p.A. (IT) | 1982-07-21 | — | — | EP | disclosed |
| US-4321381-A | Ergot derivatives | FARMITALIA CARLO ERBA S.P.A. (IT) | 1982-03-23 | — | — | US | disclosed |
| US-4252941-A | HYPOTENSIVE AGENTS, ANTIPROLACTINIC AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1981-02-24 | — | — | US | disclosed |
| EP-0008802-A1 | Ergoline derivatives, their preparation and therapeutic composition containing them | FARMITALIA CARLO ERBA S.p.A. (IT) | 1980-03-19 | — | — | EP | disclosed |