⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24524 | 0.65 | — | — | |
| SCHEMBL944190 | 0.62 | — | — | |
| SCHEMBL455259 | 0.62 | HTR2C (0.39) | — | |
| SCHEMBL16958502 | 0.62 | HTR2C (0.31) | — | |
| SCHEMBL16956437 | 0.61 | — | — | |
| SCHEMBL2049533 | 0.61 | ABCB1 (0.33) | — | |
| SCHEMBL1068404 | 0.61 | HTR2C (0.38) | — | |
| SCHEMBL16960341 | 0.61 | HTR2C (0.31) | — | |
| SCHEMBL4531309 | 0.61 | — | — | |
| SCHEMBL5923173 | 0.61 | HTR6 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1601656-A4 | TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-06-11 | — | — | EP | disclosed |
| EP-1601656-A1 | TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004080971-A1 | TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-23 | — | — | WO | disclosed |