⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL28232721 | 0.92 | — | — | |
| SCHEMBL2487739 | 0.92 | — | — | |
| SCHEMBL4635 | 0.92 | — | — | |
| SCHEMBL907968 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL29399686 | 0.92 | — | — | |
| Formaldehyde SCHEMBL29083396 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL5675257 | 0.88 | — | — | |
| Water SCHEMBL3346079 | 0.88 | TSHR (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL374068 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8586868 | 0.88 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763968-B1 | HERBICIDAL PYRIDAZINONE DERIVATIVES | SYNGENTA LTD (GB) | 2016-02-24 | — | — | EP | disclosed |
| US-20090143354-A1 | P2X7 Receptor Antagonists and Their Use | ASTRAZENECA AB (SE) | 2009-06-04 | — | — | US | disclosed |
| US-7408065-B2 | P2X7 receptor antagonists and their use | ASTRAZENECA AB (SE) | 2008-08-05 | — | — | US | disclosed |
| US-20060293337-A1 | P2x7 receptor antagonists and their use | ASTRAZENECA AB (SE) | 2006-12-28 | — | — | US | disclosed |
| EP-0808455-B1 | APPLICATION OF COUNTERCURRENT CHROMATOGRAPHY TO THE DECONVOLUTION OF CHEMICAL LIBRARIES | ZENECA LTD (GB) | 1999-04-21 | — | — | EP | disclosed |
| EP-0808455-A1 | APPLICATION OF COUNTERCURRENT CHROMATOGRAPHY TO THE DECONVOLUTION OF CHEMICAL LIBRARIES | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024842-A1 | APPLICATION OF COUNTERCURRENT CHROMATOGRAPHY TO THE DECONVOLUTION OF CHEMICAL LIBRARIES | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | disclosed |