⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1021041 | 0.73 | — | — | |
| SCHEMBL395399 | 0.73 | — | — | |
| SCHEMBL6462171 | 0.73 | TAS2R38 (0.58) | — | |
| Dicarbonodithioimidic Diamide SCHEMBL3277790 | 0.71 | — | — | |
| SCHEMBL857557 | 0.71 | — | — | |
| SCHEMBL8986013 | 0.71 | — | — | |
| Bicarbonate SCHEMBL10653459 | 0.71 | TAS2R38 (0.48) | — | |
| Oxalic Acid SCHEMBL5458052 | 0.69 | TAS2R38 (0.46) | — | |
| SCHEMBL49411 | 0.69 | — | — | |
| Dicarbonodithioimidic Diamide SCHEMBL29832274 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009131947-A2 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009131951-A2 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING ISOXAZOLE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | disclosed |