⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL919093 | 0.93 | — | — | |
| SCHEMBL9440400 | 0.90 | — | — | |
| SCHEMBL9687272 | 0.90 | — | — | |
| Acetonitrile SCHEMBL11673966 | 0.79 | — | — | |
| SCHEMBL28408897 | 0.75 | — | — | |
| SCHEMBL9486350 | 0.74 | — | — | |
| SCHEMBL21694062 | 0.73 | — | — | |
| Bicarbonate SCHEMBL28078596 | 0.69 | CA1 (0.36) | — | |
| Hydrogen Peroxide SCHEMBL9436488 | 0.69 | CA1 (0.40) | — | |
| SCHEMBL30960095 | 0.69 | CA1 (0.40) | — |
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-1993025305-A1 | MASS CELLULOSE DEACIDIFICATION PROCESS | FMC CORPORATION (US) | 1993-12-23 | — | — | WO | disclosed |