⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6610213 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL1888309 | 0.80 | — | — | |
| SCHEMBL336435 | 0.75 | PDE4B (0.38) | — | |
| SCHEMBL379055 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL17714525 | 0.70 | RXRA (0.35) | — | |
| SCHEMBL8586499 | 0.67 | MAOA (0.39) | — | |
| SCHEMBL335715 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL452876 | 0.66 | — | — | |
| SCHEMBL11345498 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL8008263 | 0.64 | CYP1A2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425015-A4 | TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2004-12-15 | — | — | EP | disclosed |
| EP-1425015-A2 | TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-06-09 | — | — | EP | disclosed |
| WO-2003015715-A2 | TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-02-27 | — | — | WO | disclosed |