⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1516176 | 0.69 | TLR4 (0.44) | — | |
| SCHEMBL6166476 | 0.65 | — | — | |
| SCHEMBL14841886 | 0.63 | AKR1C3 (0.32) | — | |
| SCHEMBL7428242 | 0.63 | — | — | |
| SCHEMBL926102 | 0.62 | — | — | |
| SCHEMBL27626673 | 0.61 | GABRP (0.30) | — | |
| SCHEMBL7369840 | 0.61 | — | — | |
| SCHEMBL7028142 | 0.59 | — | — | |
| SCHEMBL7260526 | 0.59 | GABRP (0.39) | — | |
| SCHEMBL17416817 | 0.57 | — | — |
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-1192135-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076970-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000077027-A2 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2000-12-21 | — | — | WO | disclosed |