⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9323245 | 0.85 | TBXAS1 (0.31) | — | |
| SCHEMBL9323256 | 0.85 | TBXAS1 (0.31) | — | |
| Water SCHEMBL28484737 | 0.84 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL17293302 | 0.82 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL19065058 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL29047168 | 0.82 | — | — | |
| SCHEMBL29047167 | 0.82 | — | — | |
| SCHEMBL198654 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL198655 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL17610495 | 0.82 | ALDH1A1 (0.33) | — |
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-2002068586-A2 | HIV/FIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-09-06 | — | — | WO | claimed |
| WO-2002068586-A2 | HIV/FIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-09-06 | — | — | WO | disclosed |