⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1319 | 0.93 | — | — | |
| SCHEMBL15658212 | 0.93 | ALDH1A1 (1.00) | — | |
| SCHEMBL7766675 | 0.86 | ALDH1A1 (0.86) | — | |
| SCHEMBL9357181 | 0.86 | ALDH1A1 (0.86) | — | |
| Charcoal, Activated SCHEMBL8413635 | 0.86 | — | — | |
| Water SCHEMBL8878056 | 0.86 | ALDH1A1 (0.86) | — | |
| Hydrochloric Acid SCHEMBL7512029 | 0.86 | — | — | |
| SCHEMBL8715381 | 0.86 | — | — | |
| SCHEMBL9407011 | 0.86 | ALDH1A1 (0.86) | — | |
| SCHEMBL31146451 | 0.86 | — | — |
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-5334567-A | A halosilane with the reaction product formed by mixing a solid inorganic oxide, an organometallic compound, a vanadium-containing compound and an organic reagent | QUANTUM CHEMICAL CORPORATION (US) | 1994-08-02 | — | — | US | disclosed |