⚠ 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL7723294 | 0.85 | CA2 (0.43) | — | |
| Phosphoric Acid SCHEMBL29506218 | 0.85 | CA2 (0.43) | — | |
| Phosphoric Acid SCHEMBL1651694 | 0.85 | CA2 (0.43) | — | |
| Acetonitrile SCHEMBL8057880 | 0.79 | — | — | |
| SCHEMBL2407345 | 0.76 | CA2 (0.46) | — | |
| SCHEMBL7820 | 0.76 | — | — | |
| SCHEMBL5028935 | 0.74 | — | — | |
| Methyl Phosphonate SCHEMBL7116871 | 0.72 | CA2 (0.73) | — | |
| Phosphoric Acid SCHEMBL28518252 | 0.71 | PGK1 (0.39) | — | |
| SCHEMBL10527922 | 0.71 | CA2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001047530-A1 | A METHOD OF THERAPY AND PROPHYLAXIS OF INFLAMMATION | MURDOCH CHILDRENS RESEARCH INSTITUTE (AU) | 2001-07-05 | — | — | WO | disclosed |