⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL159813 | 1.00 | — | — | |
| SCHEMBL11458578 | 0.72 | — | — | |
| Chloromethane SCHEMBL11788599 | 0.67 | — | — | |
| Ethane SCHEMBL11566789 | 0.67 | — | — | |
| Methylsulfanylmethane SCHEMBL14352912 | 0.67 | — | — | |
| Methylsulfanylmethane SCHEMBL29540305 | 0.62 | — | — | |
| Methylsulfanylmethane SCHEMBL237052 | 0.62 | — | — | |
| Methylsulfanylmethane SCHEMBL2024895 | 0.62 | — | — | |
| Methylsulfanylmethane SCHEMBL3444503 | 0.62 | — | — | |
| SCHEMBL99501 | 0.61 | — | — |
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-H642-H | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1989-06-06 | — | — | US | claimed |
| EP-0589018-A1 | AMINES AS INHIBITORS OF SQUALENE SYNTHASE | ZENECA LIMITED (GB) | 1994-03-30 | — | — | EP | disclosed |
| WO-1993020807-A1 | AMINES AS INHIBITORS OF SQUALENE SYNTHASE | ZENECA LIMITED (GB) | 1993-10-28 | — | — | WO | disclosed |