⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4883896 | 0.73 | HRH3 (0.30) | — | |
| SCHEMBL4565785 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4401074 | 0.63 | — | — | |
| SCHEMBL12650698 | 0.61 | HRH3 (0.36) | — | |
| SCHEMBL16823383 | 0.58 | TSHR (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL9126637 | 0.55 | ALDH1A1 (0.37) | — | |
| SCHEMBL8831929 | 0.53 | ALDH1A1 (0.36) | — | |
| SCHEMBL31553311 | 0.52 | KDM4E (0.35) | — | |
| SCHEMBL11622433 | 0.51 | L3MBTL3 (0.32) | — | |
| SCHEMBL19887493 | 0.48 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2094695-A1 | TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS | Cascade Therapeutics Inc. (CA) | 2009-09-02 | — | — | EP | claimed |
| WO-2008009125-A1 | TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS | CASCADE THERAPEUTICS INC. (CA) | 2008-01-24 | — | — | WO | claimed |