⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL479385 | 0.95 | — | — | |
| SCHEMBL28291355 | 0.91 | — | — | |
| Potassium SCHEMBL31370905 | 0.91 | — | — | |
| SCHEMBL2367089 | 0.87 | — | — | |
| SCHEMBL7360426 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL7752121 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL8341750 | 0.78 | — | — | |
| SCHEMBL13481756 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL3327149 | 0.75 | — | — | |
| SCHEMBL3904356 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7832412-B2 | Surface modified adsorbents and use thereof | PHILLIP MORRIS USA INC. (US) | 2010-11-16 | — | — | US | disclosed |
| US-20060086366-A1 | Surface modified adsorbents and use thereof | PHILIP MORRIS USA INC. | 2006-04-27 | — | — | US | disclosed |