⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16158258 | 0.75 | — | — | |
| SCHEMBL6247033 | 0.73 | — | — | |
| SCHEMBL11467730 | 0.73 | — | — | |
| SCHEMBL15956735 | 0.71 | — | — | |
| SCHEMBL6565013 | 0.70 | — | — | |
| SCHEMBL5453261 | 0.67 | — | — | |
| SCHEMBL7837564 | 0.66 | — | — | |
| SCHEMBL16181710 | 0.66 | — | — | |
| SCHEMBL8944348 | 0.62 | DDB1 (0.31) | — | |
| SCHEMBL32681789 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5254561-A | Tricyclic antipsychotic agents | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-19 | — | — | US | disclosed |
| WO-1993008166-A1 | BENZO-ISOQUINOLINE DERIVATIVES AND ANALOGS AND THEIR USE IN THERAPEUTICS | THE UPJOHN COMPANY (US) | 1993-04-29 | — | — | WO | disclosed |
| EP-0539209-A1 | Benzo-isoquinoline derivatives and analogs and their use in therapeutics | THE UPJOHN COMPANY (US) | 1993-04-28 | — | — | EP | disclosed |
| EP-0463691-A2 | Tricyclic sigma ligands | MERCK SHARP & DOHME LTD. (GB) | 1992-01-02 | — | — | EP | disclosed |
| EP-0106487-A2 | Improvements in or relating to novel bridged hexahydrobenz(f)isoquinolines | ELI LILLY AND COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |
| EP-0106487-A2 | Improvements in or relating to novel bridged hexahydrobenz(f)isoquinolines | ELI LILLY AND COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |
| EP-0106487-A2 | Improvements in or relating to novel bridged hexahydrobenz(f)isoquinolines | ELI LILLY AND COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |