⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4758803 | 0.84 | NPC1 (0.40) | — | |
| SCHEMBL9405066 | 0.75 | — | — | |
| SCHEMBL9405068 | 0.75 | — | — | |
| Nitrous Acid SCHEMBL5674281 | 0.73 | CES2 (0.39) | — | |
| SCHEMBL14122260 | 0.73 | DAO (0.43) | — | |
| SCHEMBL717593 | 0.73 | NPC1 (0.40) | — | |
| SCHEMBL9012605 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL8749028 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL2643305 | 0.70 | — | — | |
| SCHEMBL154665 | 0.69 | — | — |
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-1299377-A2 | SPLA2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002000641-A2 | SPLA2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |