⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6545149 | 0.78 | — | — | |
| Bromide SCHEMBL166261 | 0.61 | PARP1 (0.41) | — | |
| Water SCHEMBL15092682 | 0.61 | PARP1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL163943 | 0.61 | PARP1 (0.46) | — | |
| SCHEMBL18935533 | 0.58 | — | — | |
| Methyl Alcohol SCHEMBL15757621 | 0.58 | PARP1 (0.38) | — | |
| SCHEMBL14220486 | 0.56 | — | — | |
| SCHEMBL16835177 | 0.54 | SRC (0.32) | — | |
| SCHEMBL2916435 | 0.54 | CYP3A4 (0.38) | — | |
| SCHEMBL6312680 | 0.50 | PARP1 (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230227453-A1 | TRICYCLIC PSYCHOPLASTOGENS AND USES THEREOF | DELIX THERAPEUTICS, INC. | 2023-07-20 | — | — | US | disclosed |
| US-7897771-B2 | Fused heterocyclic compounds | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-01 | — | — | US | disclosed |
| US-20110040088-A1 | FUSED HETEROCYCLIC COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2011-02-17 | — | — | US | disclosed |
| US-20090270370-A1 | FUSED HETEROCYCLIC COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2009-10-29 | — | — | US | disclosed |
| US-7579470-B2 | Fused heterocyclic compounds | JANSSEN PHARMACEUTICA NV (BE) | 2009-08-25 | — | — | US | disclosed |
| US-20080103132-A1 | FUSED HETEROCYCLIC COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2008-05-01 | — | — | US | disclosed |
| EP-0488663-B1 | Pyrrolo[2,3-d]azepine derivatives, process for their preparation and pharmaceutical compositions containing them | LILLY INDUSTRIES LTD (GB) | 1997-10-08 | — | — | EP | disclosed |
| EP-0488663-A1 | Pyrrolo[2,3-d]azepine derivatives, process for their preparation and pharmaceutical compositions containing them | LILLY INDUSTRIES LIMITED (GB) | 1992-06-03 | — | — | EP | disclosed |