⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2503287 | 0.89 | — | — | |
| SCHEMBL5696339 | 0.88 | — | — | |
| SCHEMBL1725799 | 0.88 | — | — | |
| SCHEMBL41477 | 0.88 | LMNA (0.31) | — | |
| SCHEMBL4330055 | 0.84 | — | — | |
| SCHEMBL1057100 | 0.84 | — | — | |
| Water SCHEMBL15572075 | 0.84 | — | — | |
| SCHEMBL15656842 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL3975024 | 0.84 | — | — | |
| SCHEMBL11677641 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1745049-A | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-03-08 | — | — | CN | disclosed |