⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1785018 | 0.75 | — | — | |
| SCHEMBL13810300 | 0.75 | — | — | |
| SCHEMBL8274380 | 0.75 | — | — | |
| SCHEMBL9147251 | 0.75 | AKR1B1 (0.30) | — | |
| SCHEMBL4007948 | 0.75 | — | — | |
| SCHEMBL6435020 | 0.71 | — | — | |
| SCHEMBL6651106 | 0.69 | — | — | |
| SCHEMBL28745340 | 0.69 | — | — | |
| SCHEMBL5500006 | 0.67 | — | — | |
| SCHEMBL12586784 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000003699-A2 | DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS ACTIVE INGREDIENT AND THEIR USE | HASSAN JOMAA (DE) | 2000-01-27 | — | — | WO | claimed |