⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL456776 | 0.89 | — | — | |
| SCHEMBL28858782 | 0.89 | — | — | |
| SCHEMBL28263013 | 0.87 | — | — | |
| SCHEMBL184428 | 0.87 | — | — | |
| SCHEMBL958229 | 0.87 | — | — | |
| SCHEMBL28434674 | 0.87 | — | — | |
| SCHEMBL3821183 | 0.87 | — | — | |
| SCHEMBL10868425 | 0.87 | — | — | |
| SCHEMBL3240880 | 0.82 | — | — | |
| SCHEMBL25212624 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0600579-B1 | Metastable beta titanium-base alloy | TITANIUM METALS CORP (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0600579-A1 | Metastable beta titanium-base alloy | TITANIUM METALS CORPORATION (US) | 1994-06-08 | — | — | EP | disclosed |
| US-5294267-A | Iron, molybdenum, aluminum; automobile coil springs; high strength, ductility | TITANIUM METALS CORPORATION (US) | 1994-03-15 | — | — | US | disclosed |