⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7633849 | 0.92 | MAOB (0.31) | — | |
| SCHEMBL7946678 | 0.89 | — | — | |
| SCHEMBL31253552 | 0.85 | PDCD1 (0.35) | — | |
| SCHEMBL3404398 | 0.85 | PDCD1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7943365 | 0.83 | PDCD1 (0.33) | — | |
| SCHEMBL7641341 | 0.82 | MAOB (0.32) | — | |
| Hydrochloric Acid SCHEMBL7639506 | 0.82 | — | — | |
| SCHEMBL5678404 | 0.82 | PDCD1 (0.33) | — | |
| SCHEMBL7941876 | 0.80 | NTRK1 (0.32) | — | |
| SCHEMBL7983533 | 0.79 | PDCD1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001046201-A1 | GALLIUM OR INDIUM-BRIDGED GROUP 4 METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 2001-06-28 | — | — | WO | disclosed |