⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2136788 | 0.76 | — | — | |
| Hydrogen Sulfide SCHEMBL2511821 | 0.74 | — | — | |
| SCHEMBL538315 | 0.72 | — | — | |
| SCHEMBL180719 | 0.72 | — | — | |
| SCHEMBL5133065 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL537449 | 0.71 | — | — | |
| Ethylene SCHEMBL28834218 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL8560084 | 0.70 | — | — | |
| SCHEMBL21208 | 0.70 | — | — | |
| SCHEMBL11688709 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1990000399-A1 | RETROVIRAL PROTEASE BINDING PEPTIDES | SMITHKLINE BECKMAN CORPORATION (US) | 1990-01-25 | — | — | WO | disclosed |
| EP-0352000-A2 | Retroviral protease binding peptides | SMITHKLINE BEECHAM CORPORATION (US) | 1990-01-24 | — | — | EP | disclosed |