⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4640754 | 0.67 | CYP3A4 (0.31) | — | |
| SCHEMBL28381612 | 0.63 | — | — | |
| SCHEMBL7776632 | 0.61 | — | — | |
| SCHEMBL1032396 | 0.61 | MEN1 (0.35) | — | |
| SCHEMBL6013334 | 0.61 | MEN1 (0.39) | — | |
| SCHEMBL3713097 | 0.60 | — | — | |
| SCHEMBL7485753 | 0.58 | — | — | |
| SCHEMBL9352176 | 0.58 | MEN1 (0.46) | — | |
| SCHEMBL10871381 | 0.58 | — | — | |
| SCHEMBL18786524 | 0.57 | CYP3A4 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1294367-A2 | ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT | The Procter & Gamble Company (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002002096-A2 | ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT | THE PROCTER & GAMBLE COMPANY (US) | 2002-01-10 | — | — | WO | disclosed |