⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4929050 | 0.83 | — | — | |
| SCHEMBL4927739 | 0.82 | CPA1 (0.30) | — | |
| SCHEMBL4927022 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL4927444 | 0.80 | RXFP1 (0.39) | — | |
| Succinic Acid SCHEMBL2259012 | 0.75 | HTR2A (0.39) | — | |
| SCHEMBL12361280 | 0.71 | HTR2C (0.46) | — | |
| SCHEMBL5108376 | 0.69 | MEN1 (0.34) | — | |
| SCHEMBL5116134 | 0.69 | GRM5 (0.35) | — | |
| SCHEMBL5114686 | 0.67 | ORAI1 (0.32) | — | |
| SCHEMBL4243300 | 0.66 | CCNT1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080255092-A1 | 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists | ELI LILLY AND COMPANY | 2008-10-16 | — | — | US | disclosed |