⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22031661 | 0.83 | — | — | |
| SCHEMBL20377245 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL20702098 | 0.81 | — | — | |
| SCHEMBL29393510 | 0.78 | — | — | |
| SCHEMBL7828056 | 0.77 | — | — | |
| SCHEMBL31337677 | 0.77 | — | — | |
| SCHEMBL4367842 | 0.77 | PDE1C (0.34) | — | |
| SCHEMBL6832980 | 0.72 | — | — | |
| SCHEMBL14837782 | 0.72 | — | — | |
| SCHEMBL2316537 | 0.71 | CYP2D6 (0.33) | — |
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-0946556-A4 | COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES | LILLY CO ELI (US) | 2001-07-04 | — | — | EP | disclosed |
| EP-0946556-A1 | COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998027093-A1 | COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-06-25 | — | — | WO | disclosed |