⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6992962 | 0.82 | — | — | |
| SCHEMBL16828847 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3057710 | 0.80 | ALDH1A1 (0.31) | — | |
| Phosphonic Acid SCHEMBL8386252 | 0.77 | — | — | |
| SCHEMBL19773430 | 0.77 | — | — | |
| SCHEMBL24496160 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL8386620 | 0.76 | — | — | |
| SCHEMBL11162106 | 0.75 | — | — | |
| SCHEMBL10458125 | 0.74 | — | — | |
| SCHEMBL24050486 | 0.74 | — | — |
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-0628035-A4 | RETROVIRAL PROTEASE INHIBITORS. | SMITHKLINE BEECHAM CORP (US) | 1995-03-29 | — | — | EP | disclosed |
| EP-0628035-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-12-14 | — | — | EP | disclosed |
| WO-1993017003-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-09-02 | — | — | WO | disclosed |