⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6536043 | 0.76 | — | — | |
| SCHEMBL6536086 | 0.76 | USP2 (0.30) | — | |
| SCHEMBL6535969 | 0.76 | — | — | |
| SCHEMBL6536025 | 0.75 | NPC1 (0.35) | — | |
| SCHEMBL6536039 | 0.73 | ERN1 (0.35) | — | |
| SCHEMBL6219886 | 0.68 | BACE1 (0.31) | — | |
| SCHEMBL27826598 | 0.66 | — | — | |
| SCHEMBL28988468 | 0.64 | NPC1 (0.34) | — | |
| SCHEMBL27893512 | 0.60 | — | — | |
| SCHEMBL28971602 | 0.59 | NPC1 (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 |