⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28336983 | 0.82 | — | — | |
| SCHEMBL6758989 | 0.82 | — | — | |
| SCHEMBL34506 | 0.82 | — | — | |
| SCHEMBL11310305 | 0.82 | — | — | |
| SCHEMBL28562223 | 0.82 | — | — | |
| SCHEMBL1359856 | 0.67 | — | — | |
| SCHEMBL6235234 | 0.67 | — | — | |
| SCHEMBL2138266 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5848187 | 0.67 | — | — | |
| SCHEMBL21219648 | 0.67 | — | — |
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-5111108-A | Barium-strontium-yttrium oxide | GTE PRODUCTS CORPORATION (US) | 1992-05-05 | — | — | US | disclosed |