⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8750616 | 0.93 | — | — | |
| SCHEMBL17634062 | 0.73 | KDM1A (0.33) | — | |
| SCHEMBL217280 | 0.72 | KDM1A (0.42) | — | |
| SCHEMBL868982 | 0.71 | KDM1A (0.36) | — | |
| SCHEMBL2500430 | 0.68 | — | — | |
| SCHEMBL9860256 | 0.67 | — | — | |
| SCHEMBL2508160 | 0.64 | — | — | |
| SCHEMBL4407106 | 0.64 | — | — | |
| SCHEMBL25381783 | 0.62 | TLR4 (0.33) | — | |
| SCHEMBL9004861 | 0.62 | — | — |
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 7 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 | claimed |
| EP-1425015-A2 | TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-06-09 | — | — | EP | claimed |
| WO-2003015715-A2 | TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-02-27 | — | — | WO | claimed |
| EP-1425015-A4 | TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2004-12-15 | — | — | EP | disclosed |
| WO-2004072046-A2 | QUINOLINE DERIVATIVES AND THEIR USE FOR MODULATION OF LXR ACTIVITY | CAREX S.A. (FR) | 2004-08-26 | — | — | WO | 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 |