⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6613423 | 0.78 | CCR1 (0.31) | — | |
| SCHEMBL358401 | 0.70 | — | — | |
| SCHEMBL18885201 | 0.70 | — | — | |
| SCHEMBL23409656 | 0.70 | — | — | |
| SCHEMBL3321813 | 0.68 | — | — | |
| SCHEMBL15332090 | 0.67 | CYP2A6 (0.34) | — | |
| SCHEMBL7186922 | 0.67 | — | — | |
| SCHEMBL1160111 | 0.67 | — | — | |
| SCHEMBL13654262 | 0.67 | — | — | |
| SCHEMBL1994826 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000077027-A2 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2000-12-21 | — | — | WO | claimed |
| EP-1240154-A1 | SERINE PROTEASE INHIBITORS | Tularik Limited (GB) | 2002-09-18 | — | — | EP | disclosed |
| EP-1192135-A2 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2001044226-A1 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2001-06-21 | — | — | WO | 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 |