⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9621436 | 0.82 | — | — | |
| SCHEMBL2899608 | 0.73 | — | — | |
| SCHEMBL5180394 | 0.69 | — | — | |
| SCHEMBL22369147 | 0.67 | — | — | |
| SCHEMBL5180559 | 0.65 | — | — | |
| SCHEMBL23425526 | 0.65 | — | — | |
| SCHEMBL6679831 | 0.63 | ALDH1A1 (0.41) | — | |
| Oxalic Acid SCHEMBL9300612 | 0.61 | GABRR1 (0.34) | — | |
| SCHEMBL11390980 | 0.61 | — | — | |
| SCHEMBL6057102 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0310109-B1 | NOVEL AMINOALKYL-SUBSTITUTED HETEROCYCLIC SULFUR COMPOUNDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-01-08 | — | — | EP | claimed |
| EP-0310109-A2 | Novel aminoalkyl-substituted heterocyclic sulfur compounds | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-04-05 | — | — | EP | claimed |
| EP-0310109-B1 | NOVEL AMINOALKYL-SUBSTITUTED HETEROCYCLIC SULFUR COMPOUNDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-01-08 | — | — | EP | disclosed |
| US-4970228-A | HYPOTENSIVE AGENTS | MERRELL DOW PHARMACEUTICALS (US) | 1990-11-13 | — | — | US | disclosed |
| US-4894389-A | HYPOTENSIVE AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-01-16 | — | — | US | disclosed |
| CN-1032792-A | The heterocyclic sulfur compounds that new aminoalkyl replaces | MERRELL DOW PHARMA (US) | 1989-05-10 | — | — | CN | disclosed |
| EP-0310109-A2 | Novel aminoalkyl-substituted heterocyclic sulfur compounds | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-04-05 | — | — | EP | disclosed |