⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL296108 | 0.79 | CYP3A4 (0.33) | — | |
| SCHEMBL4329459 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL18245300 | 0.70 | LMNA (0.34) | — | |
| SCHEMBL1021207 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL18611284 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL331446 | 0.65 | MIF (0.36) | — | |
| SCHEMBL1022395 | 0.63 | MIF (0.50) | — | |
| SCHEMBL2889331 | 0.61 | MIF (0.48) | — | |
| SCHEMBL2140429 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL6675119 | 0.60 | MIF (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 |
|---|---|---|---|---|---|---|---|
| WO-2004011506-A1 | A HIGH REFRACTIVE INDEX POLYMERIZABLE COMPOSITION | PPG INDUSTRIES OHIO, INC. (US) | 2004-02-05 | — | — | WO | disclosed |
| US-20040021133-A1 | High refractive index polymerizable composition | PPG INDUSTRIES OHIO, INC. | 2004-02-05 | — | — | US | disclosed |