⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5831832 | 0.86 | LMNA (0.33) | — | |
| SCHEMBL9084950 | 0.84 | LMNA (0.32) | — | |
| SCHEMBL5269630 | 0.84 | — | — | |
| SCHEMBL5269252 | 0.84 | — | — | |
| SCHEMBL2906047 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL21633722 | 0.78 | — | — | |
| SCHEMBL5318289 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL5271374 | 0.76 | — | — | |
| SCHEMBL4870644 | 0.76 | CES1 (0.34) | — | |
| SCHEMBL16050133 | 0.74 | — | — |
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-1287007-A1 | PHOSPHONIUM SALTS | CYTEC TECHNOLOGY CORP. (US) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087900-A1 | PHOSPHONIUM SALTS | CYTEC TECHNOLOGY CORP. (US) | 2001-11-22 | — | — | WO | disclosed |