⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2292342 | 0.84 | — | — | |
| SCHEMBL6382569 | 0.83 | — | — | |
| SCHEMBL2292115 | 0.79 | — | — | |
| SCHEMBL24222160 | 0.78 | — | — | |
| SCHEMBL878835 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL14533547 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL11299703 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL6378138 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL17446896 | 0.75 | — | — | |
| SCHEMBL2288386 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1157000-A1 | BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY | WARNER-LAMBERT COMPANY (US) | 2001-11-28 | — | — | EP | disclosed |
| WO-2001042191-A1 | BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY | WARNER-LAMBERT COMPANY (US) | 2001-06-14 | — | — | WO | disclosed |