⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15317993 | 0.81 | — | — | |
| SCHEMBL17491823 | 0.77 | — | — | |
| SCHEMBL10906046 | 0.73 | — | — | |
| SCHEMBL31511305 | 0.73 | — | — | |
| SCHEMBL3647151 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL8349965 | 0.71 | — | — | |
| SCHEMBL7270749 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL1057560 | 0.71 | — | — | |
| SCHEMBL18584687 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3240310 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024129763-A1 | MODULATORS OF TNF-α ACTIVITY | FORWARD THERAPEUTICS, INC. (US) | 2024-06-20 | — | — | WO | disclosed |
| US-5733882-A | Retroviral protease inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1998-03-31 | — | — | US | disclosed |
| EP-0602069-A4 | RETROVIRAL PROTEASE INHIBITORS. | SMITHKLINE BEECHAM CORP (US) | 1995-05-03 | — | — | EP | disclosed |
| EP-0602069-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-06-22 | — | — | EP | disclosed |
| WO-1993002057-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-02-04 | — | — | WO | disclosed |