⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6062090 | 0.90 | CYP19A1 (0.31) | — | |
| SCHEMBL5357645 | 0.89 | TUBB1 (0.32) | — | |
| SCHEMBL5353162 | 0.88 | — | — | |
| SCHEMBL6061958 | 0.87 | TUBB1 (0.31) | — | |
| SCHEMBL6063877 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL5346022 | 0.86 | — | — | |
| SCHEMBL6063571 | 0.86 | — | — | |
| SCHEMBL6062252 | 0.86 | — | — | |
| SCHEMBL6062842 | 0.84 | — | — | |
| SCHEMBL6063250 | 0.83 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060264320-A1 | Hydrophobization and silica for supported catalyst | RODRIGUEZ GEORGE | 2006-11-23 | — | — | US | disclosed |