⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4003136 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL6864054 | 0.71 | — | — | |
| SCHEMBL4003140 | 0.71 | — | — | |
| SCHEMBL28261871 | 0.69 | — | — | |
| SCHEMBL28019073 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL27777457 | 0.69 | — | — | |
| SCHEMBL28581761 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL28578582 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL27708428 | 0.67 | — | — | |
| Sulfurous Acid SCHEMBL28562386 | 0.65 | CA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0155872-A1 | Process for reducing the lignin content of plants, and compositions for putting it into use | Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1985-09-25 | — | — | EP | disclosed |