⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11000228 | 0.81 | — | — | |
| SCHEMBL8436121 | 0.75 | CES2 (0.43) | — | |
| SCHEMBL9431019 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL2209517 | 0.74 | — | — | |
| SCHEMBL11671506 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL1359748 | 0.70 | — | — | |
| SCHEMBL11670290 | 0.70 | — | — | |
| SCHEMBL1925477 | 0.70 | — | — | |
| SCHEMBL11068033 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL14712444 | 0.69 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4309346-A | INTERMEDIATES FOR AMINO ACID DERIVATIVE ANTIBIOTICS | MERCK & CO., INC. (US) | 1982-01-05 | — | — | US | disclosed |