⚠ 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 | |
|---|---|---|---|---|
| Decane SCHEMBL7778563 | 0.87 | TSHR (0.67) | — | |
| Hexadecane SCHEMBL7778577 | 0.87 | TSHR (0.67) | — | |
| Dodecane SCHEMBL11566797 | 0.87 | TSHR (0.67) | — | |
| SCHEMBL7772404 | 0.87 | TSHR (0.67) | — | |
| Octane SCHEMBL7776644 | 0.87 | TSHR (0.67) | — | |
| Butane SCHEMBL261746 | 0.80 | — | — | |
| Pentane SCHEMBL2999398 | 0.80 | — | — | |
| Pentane SCHEMBL1234 | 0.80 | — | — | |
| Pentane SCHEMBL9634178 | 0.80 | TSHR (1.00) | — | |
| Pentane SCHEMBL9633320 | 0.80 | TSHR (1.00) | — |
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-0747384-B1 | Process for the preparation of alkylhydrogenchlorosilanes | DEGUSSA (DE) | 2001-09-12 | — | — | EP | disclosed |
| US-5654459-A | VIA COMPROPORTIONATION OF ALKYLCHLOROSILANES WITH HYDROGENCHLOROSILANES IN THE PRESENCE OF A ZIRCONIUM AND/OR ALUMINUM CATALYST SATURATED WITH A HYDROGEN HALIDE; HIGH YIELD AND PURITY | HUELS AKTIENGESELLSCHAFT (DE) | 1997-08-05 | — | — | US | disclosed |
| EP-0747384-A1 | Process for the preparation of alkylhydrogenchlorosilanes | HÜLS AKTIENGESELLSCHAFT (DE) | 1996-12-11 | — | — | EP | disclosed |