⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21591813 | 0.77 | CES2 (0.31) | — | |
| SCHEMBL623392 | 0.77 | CES2 (0.31) | — | |
| SCHEMBL11704526 | 0.76 | CES2 (0.39) | — | |
| SCHEMBL10626341 | 0.75 | ALOX15 (0.32) | — | |
| SCHEMBL10708005 | 0.74 | CES2 (0.33) | — | |
| SCHEMBL5042652 | 0.72 | FNTA (0.44) | — | |
| SCHEMBL4451624 | 0.70 | TRPA1 (0.31) | — | |
| SCHEMBL13976301 | 0.67 | PLA2G2A (0.47) | — | |
| SCHEMBL19717960 | 0.66 | ALDH1A1 (0.53) | — | |
| SCHEMBL214415 | 0.66 | ALDH1A1 (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1019720-A1 | COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES | ELI LILLY AND COMPANY (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1998027427-A1 | COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-06-25 | — | — | WO | disclosed |