⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26256136 | 0.75 | — | — | |
| SCHEMBL6057561 | 0.72 | TRPA1 (0.40) | — | |
| SCHEMBL21896436 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9804686 | 0.65 | HTR1A (0.31) | — | |
| SCHEMBL43114 | 0.64 | — | — | |
| SCHEMBL4177390 | 0.64 | — | — | |
| SCHEMBL9787772 | 0.64 | — | — | |
| SCHEMBL41777 | 0.64 | — | — | |
| SCHEMBL26348326 | 0.64 | PYCR1 (0.34) | — | |
| SCHEMBL6703070 | 0.63 | TRPA1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060211696-A1 | IMIDAZO[1,2-b]PYRIDAZINE COMPOUND | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2006-09-21 | — | — | US | disclosed |
| US-7078405-B2 | Imidazo[1,2-b]pyridazine compound | EISAI CO., LTD. (JP) | 2006-07-18 | — | — | US | disclosed |
| US-20040082781-A1 | Bicyclic nitrogenous fused-ring compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-04-29 | — | — | US | disclosed |
| EP-1364952-A1 | BICYCLIC NITROGENOUS FUSED-RING COMPOUND | Eisai Co., Ltd. (JP) | 2003-11-26 | — | — | EP | disclosed |