⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5763401 | 0.82 | GAA (0.36) | — | |
| SCHEMBL5764595 | 0.78 | DGAT1 (0.30) | — | |
| SCHEMBL12819534 | 0.66 | — | — | |
| SCHEMBL12040852 | 0.63 | MAPT (0.33) | — | |
| SCHEMBL5561175 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL1018739 | 0.60 | — | — | |
| SCHEMBL9362921 | 0.59 | ESR1 (0.42) | — | |
| SCHEMBL16938750 | 0.59 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL5555790 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL9632330 | 0.59 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091738-B1 | BICYCLIC sPLA 2 INHIBITORS | LILLY CO ELI (US) | 2006-12-06 | — | — | EP | disclosed |
| US-6384041-B1 | ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS | ELI LILLY AND COMPANY | 2002-05-07 | — | — | US | disclosed |