⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29692491 | 0.97 | — | — | |
| SCHEMBL103431 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7258648 | 0.95 | — | — | |
| Ethyne SCHEMBL27584909 | 0.92 | CCR1 (0.50) | — | |
| Formaldehyde SCHEMBL28001630 | 0.90 | GRM5 (0.50) | — | |
| Cyanide SCHEMBL28111369 | 0.90 | CCR1 (0.48) | — | |
| SCHEMBL28306091 | 0.88 | GRM5 (0.49) | — | |
| Formic Acid SCHEMBL28212456 | 0.84 | GRM5 (0.50) | — | |
| SCHEMBL3419835 | 0.83 | CCR1 (0.73) | — | |
| Formic Acid Methyl Ester SCHEMBL28266604 | 0.81 | GRM5 (0.44) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103261198-A | 2-arylimidazo[1,2-]pyridazine, 2-phenylimidazo[1,2-a]pyridine, and 2-phenylimidazo[1,2-a]pyrazine derivatives | JIANGSU HENGRUI MEDICINE CO | 2013-08-21 | — | — | CN | disclosed |
| EP-2342191-B1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORP (JP) | 2013-03-20 | — | — | EP | disclosed |
| CN-102964294-A | Pyridyl inhibitors of hedgehog signalling | GENENTECH INC | 2013-03-13 | — | — | CN | disclosed |
| EP-2342191-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | Mitsubishi Tanabe Pharma Corporation (JP) | 2011-07-13 | — | — | EP | disclosed |
| US-20110166135-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-07-07 | — | — | US | disclosed |
| CN-102083822-A | Pyridyl inhibitors of HEDGEHOG signalling | GENENTECH INC | 2011-06-01 | — | — | CN | disclosed |
| CN-101142217-B | Imidazopyridazine compounds | LILLY CO ELI | 2010-12-08 | — | — | CN | disclosed |
| CN-101115756-B | Tetracyclic imidazo-benzodiazepines as GABA receptor modulators | HOFFMANN LA ROCHE | 2010-06-16 | — | — | CN | disclosed |
| WO-2010030027-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-18 | — | — | WO | disclosed |
| CN-101142217-A | Imidazopyridazine compounds | LILLY CO ELI (US) | 2008-03-12 | — | — | CN | disclosed |
| CN-101115756-A | Tetracyclic imidazo-benzodiazepines * as GABA receptor modulators | HOFFMANN LA ROCHE (CH) | 2008-01-30 | — | — | CN | disclosed |
| CN-101072755-A | Pyridyl inhibitors of Hedgehog signaling | GENENTECH INC (US) | 2007-11-14 | — | — | CN | disclosed |