⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2976809 | 0.75 | MEN1 (0.58) | — | |
| SCHEMBL13531717 | 0.75 | — | — | |
| SCHEMBL5255933 | 0.75 | — | — | |
| SCHEMBL2968028 | 0.72 | MEN1 (0.48) | — | |
| Nitroacetic Acid SCHEMBL153563 | 0.71 | — | — | |
| SCHEMBL2971602 | 0.70 | MEN1 (0.46) | — | |
| SCHEMBL10436382 | 0.70 | TET2 (0.47) | — | |
| Nitroacetic Acid SCHEMBL19995636 | 0.69 | LMNA (0.50) | — | |
| Nitroacetic Acid SCHEMBL5933852 | 0.69 | — | — | |
| Nitroacetic Acid SCHEMBL13859134 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4331608-A | Liquid phase catalytic co-oxidation process | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1982-05-25 | — | — | US | disclosed |
| EP-0021118-A1 | Liquid phase catalytic co-oxidation of unsaturated compounds and aldehydes or ketones | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1981-01-07 | — | — | EP | disclosed |