⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9747541 | 0.91 | — | — | |
| SCHEMBL9748339 | 0.80 | — | — | |
| SCHEMBL7929582 | 0.79 | THRB (0.38) | — | |
| SCHEMBL25590971 | 0.78 | — | — | |
| SCHEMBL18639365 | 0.73 | ADRB2 (0.38) | — | |
| SCHEMBL9480491 | 0.71 | CA1 (0.30) | — | |
| SCHEMBL9480800 | 0.71 | — | — | |
| SCHEMBL13292089 | 0.71 | CYP4F2 (0.35) | — | |
| SCHEMBL18833266 | 0.71 | — | — | |
| SCHEMBL13757904 | 0.69 | — | — |
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-0259092-B1 | SUBSTITUTED HEXAHYDROARYLQUINOLIZINES | MERCK & CO. INC. (US) | 1992-07-22 | — | — | EP | disclosed |
| US-4916223-A | ALPAH 2-ADRENOCEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1990-04-10 | — | — | US | disclosed |
| US-4831035-A | Substituted hexahydroarylquinolizines | MERCK & CO., INC. (US) | 1989-05-16 | — | — | US | disclosed |