⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28317685 | 0.67 | — | — | |
| SCHEMBL2301140 | 0.66 | — | — | |
| SCHEMBL2299288 | 0.66 | — | — | |
| SCHEMBL30843790 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL27342989 | 0.65 | — | — | |
| SCHEMBL28317684 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7406592 | 0.64 | — | — | |
| SCHEMBL27509032 | 0.62 | — | — | |
| Oxalic Acid SCHEMBL30288221 | 0.60 | — | — | |
| SCHEMBL2812622 | 0.59 | CRHBP (0.34) | — |
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 4 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 |
| EP-0259092-A1 | Substituted hexahydroarylquinolizines | MERCK & CO. INC. (US) | 1988-03-09 | — | — | EP | disclosed |