⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12168346 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL3676206 | 0.68 | — | — | |
| SCHEMBL2444081 | 0.67 | — | — | |
| SCHEMBL685589 | 0.67 | — | — | |
| SCHEMBL10835193 | 0.67 | — | — | |
| SCHEMBL14108058 | 0.67 | — | — | |
| Benzoquinone SCHEMBL9134802 | 0.65 | ALDH1A1 (0.80) | — | |
| Benzoquinone SCHEMBL5308519 | 0.64 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL30679171 | 0.64 | — | — | |
| Benzoquinone SCHEMBL10506648 | 0.64 | ALDH1A1 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2010132615-A | METHOD FOR PRODUCING 4-KETOANILINE DERIVATIVE | NISSAN CHEM IND LTD | 2010-06-17 | — | — | JP | disclosed |
| US-5187161-A | Antiinflammatory agents | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1993-02-16 | — | — | US | disclosed |
| EP-0414913-A1 | p-AMINOPHENOL DERIVATIVE AND PRODUCTION AND APPLICATION THEREOF | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1991-03-06 | — | — | EP | disclosed |