⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4401074 | 0.98 | — | — | |
| SCHEMBL2616124 | 0.74 | — | — | |
| SCHEMBL2505718 | 0.73 | — | — | |
| SCHEMBL8204032 | 0.69 | — | — | |
| SCHEMBL13775942 | 0.68 | FKBP5 (0.34) | — | |
| SCHEMBL8346675 | 0.64 | OR51E2 (0.31) | — | |
| SCHEMBL21899203 | 0.64 | FKBP5 (0.31) | — | |
| SCHEMBL4395745 | 0.64 | — | — | |
| SCHEMBL28888013 | 0.62 | — | — | |
| SCHEMBL2181673 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11390623-B2 | 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands | PFIZER INC. (US) | 2022-07-19 | — | — | US | disclosed |
| EP-2094695-A1 | TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS | Cascade Therapeutics Inc. (CA) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008009125-A1 | TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS | CASCADE THERAPEUTICS INC. (CA) | 2008-01-24 | — | — | WO | disclosed |