⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8010134 | 1.00 | — | — | |
| SCHEMBL4874910 | 1.00 | — | — | |
| SCHEMBL7715423 | 1.00 | — | — | |
| SCHEMBL28683784 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL12538369 | 0.96 | — | — | |
| SCHEMBL23710662 | 0.89 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL27966144 | 0.85 | SLC7A5 (0.32) | — | |
| SCHEMBL571185 | 0.84 | — | — | |
| SCHEMBL23655459 | 0.77 | — | — | |
| SCHEMBL9909824 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6369253-B1 | FORMATION OF AMINE AND OXYGEN SILANE BONDS TO FORM METALLOCENES | SRI INTERNATIONAL | 2002-04-09 | — | — | US | disclosed |
| WO-2000058323-A1 | METALLOCENE COMPOUNDS WITH SILOXAZOL LIGANDS | SRI INTERNATIONAL (US) | 2000-10-05 | — | — | WO | disclosed |
| US-6048992-A | Metallocene compounds from amino alcohol-derived ligands | SRI INTERNATIONAL (US) | 2000-04-11 | — | — | US | disclosed |