⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3603560 | 0.72 | — | — | |
| SCHEMBL3610304 | 0.69 | — | — | |
| SCHEMBL3610306 | 0.69 | — | — | |
| SCHEMBL11435894 | 0.67 | — | — | |
| SCHEMBL73306 | 0.65 | — | — | |
| SCHEMBL19932272 | 0.63 | — | — | |
| SCHEMBL109760 | 0.62 | — | — | |
| SCHEMBL153615 | 0.62 | — | — | |
| SCHEMBL9358096 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL1126328 | 0.62 | ALDH1A1 (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080214552-A1 | Substituted Pyridazinecarboxamides and Derivatives Thereof | BAYER CROPSCIENCE AG (DE) | 2008-09-04 | — | — | US | claimed |
| EP-1763303-A1 | SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF | Bayer CropScience Aktiengesellschaft (DE) | 2007-03-21 | — | — | EP | claimed |
| WO-2006000333-A1 | SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-01-05 | — | — | WO | claimed |
| US-20090099192-A1 | Substituted 1H-pyrrole-2,5-diones | BAYER CROPSCIENCE AG (DE) | 2009-04-16 | — | — | US | disclosed |
| US-20080214552-A1 | Substituted Pyridazinecarboxamides and Derivatives Thereof | BAYER CROPSCIENCE AG (DE) | 2008-09-04 | — | — | US | disclosed |
| EP-1771068-A1 | SUBSTITUTED 1H-PYRROLE-2,5-DIONES | Bayer CropScience Aktiengesellschaft (DE) | 2007-04-11 | — | — | EP | disclosed |
| EP-1763303-A1 | SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF | Bayer CropScience Aktiengesellschaft (DE) | 2007-03-21 | — | — | EP | disclosed |
| WO-2006007998-A1 | SUBSTITUTED 1H-PYRROLE-2,5-DIONES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-01-26 | — | — | WO | disclosed |
| WO-2006000333-A1 | SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-01-05 | — | — | WO | disclosed |