⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9313580 | 0.90 | EPHX1 (0.62) | — | |
| SCHEMBL28778443 | 0.90 | EPHX1 (0.62) | — | |
| SCHEMBL9080407 | 0.90 | EPHX1 (0.62) | — | |
| SCHEMBL7517709 | 0.90 | EPHX1 (0.62) | — | |
| SCHEMBL3030508 | 0.90 | TSHR (0.65) | — | |
| Butanal SCHEMBL27796061 | 0.90 | ALDH1A1 (0.63) | — | |
| SCHEMBL7672990 | 0.87 | TSHR (0.64) | — | |
| SCHEMBL2387372 | 0.83 | — | — | |
| SCHEMBL29349589 | 0.83 | HIF1A (0.47) | — | |
| SCHEMBL3031672 | 0.82 | TSHR (0.71) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380197-B1 | FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES | AVENTIS PHARMA S. A. (FR) | 2002-04-30 | — | — | US | claimed |
| EP-1001943-A1 | POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-05-24 | — | — | EP | claimed |
| WO-1999003843-A1 | POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | claimed |
| US-9944836-B2 | Amine composition | EVONIK DEGUSSA GMBH (DE) | 2018-04-17 | — | — | US | disclosed |
| US-20150368531-A1 | Amine Composition | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-12-24 | — | — | US | disclosed |
| US-8017611-B2 | Pyridine and pyrazine derivatives -083 | ASTRAZENECA AB (SE) | 2011-09-13 | — | — | US | disclosed |
| EP-2215085-B1 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2011-09-07 | — | — | EP | disclosed |
| EP-2215085-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | AstraZeneca AB (SE) | 2010-08-11 | — | — | EP | disclosed |
| US-20090118305-A1 | PYRIDINE AND PYRAZINE DERIVATIVES - 083 | ASTRAZENECA AB (SE) | 2009-05-07 | — | — | US | disclosed |
| WO-2009053737-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |
| US-6380197-B1 | FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES | AVENTIS PHARMA S. A. (FR) | 2002-04-30 | — | — | US | disclosed |
| EP-1001943-A1 | POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999003843-A1 | POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | disclosed |