⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6258796 | 0.77 | — | — | |
| SCHEMBL6256801 | 0.75 | — | — | |
| SCHEMBL4768444 | 0.66 | — | — | |
| SCHEMBL6590713 | 0.65 | PSEN1 (0.31) | — | |
| SCHEMBL3392036 | 0.59 | ALDH1A1 (0.38) | — | |
| SCHEMBL3477951 | 0.58 | CHRNB2 (0.36) | — | |
| SCHEMBL14166969 | 0.58 | CHRNB2 (0.36) | — | |
| SCHEMBL14655206 | 0.58 | CHRNB2 (0.36) | — | |
| Acetamide SCHEMBL4103797 | 0.56 | LMNA (0.47) | — | |
| SCHEMBL6835495 | 0.55 | FUCA1 (0.39) | — |
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-1307203-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-08-17 | — | — | EP | claimed |
| EP-1307203-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-05-07 | — | — | EP | claimed |
| WO-2001070232-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-09-27 | — | — | WO | claimed |