⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8434018 | 0.87 | — | — | |
| SCHEMBL5063598 | 0.87 | — | — | |
| SCHEMBL29526571 | 0.82 | — | — | |
| SCHEMBL28638655 | 0.82 | — | — | |
| SCHEMBL874862 | 0.82 | — | — | |
| SCHEMBL4857136 | 0.82 | — | — | |
| SCHEMBL6900504 | 0.82 | — | — | |
| SCHEMBL30084753 | 0.82 | — | — | |
| SCHEMBL5063658 | 0.78 | — | — | |
| SCHEMBL5059412 | 0.78 | — | — |
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-5895820-A | OXIDATION OF DIALKYL AROMATIC ALDEHYDE AND/OR CARBOXYLIC ACIDIN PRESENCE OF HEAVY METAL CATALYST AND BROMINE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1999-04-20 | — | — | US | disclosed |
| EP-0896960-A2 | Process for the production of trimellitic acid and process for the production of trimellitic acid anhydride | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1999-02-17 | — | — | EP | disclosed |