⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6262239 | 0.97 | — | — | |
| SCHEMBL24316025 | 0.90 | — | — | |
| SCHEMBL5558890 | 0.81 | PAX8 (0.31) | — | |
| SCHEMBL27306775 | 0.80 | MME (0.33) | — | |
| SCHEMBL12570436 | 0.76 | CA12 (0.34) | — | |
| SCHEMBL24316009 | 0.76 | — | — | |
| SCHEMBL32665282 | 0.76 | — | — | |
| SCHEMBL29341675 | 0.76 | CA12 (0.33) | — | |
| SCHEMBL10822071 | 0.75 | — | — | |
| SCHEMBL2559826 | 0.75 | — | — |
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-4801721-A | Stereospecific synthesis of carboxyalkyl peptides | RYAN JAMES W (US) | 1989-01-31 | — | — | US | disclosed |