⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5774391 | 0.80 | NR1H2 (0.32) | — | |
| SCHEMBL5772648 | 0.76 | TP53 (0.31) | — | |
| SCHEMBL2575653 | 0.75 | NR1H2 (0.46) | — | |
| SCHEMBL17973724 | 0.67 | TP53 (0.48) | — | |
| SCHEMBL1674781 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL15863514 | 0.63 | — | — | |
| SCHEMBL12124379 | 0.59 | CYP2A6 (0.46) | — | |
| SCHEMBL3284603 | 0.59 | ACHE (0.35) | — | |
| SCHEMBL3321240 | 0.59 | TSHR (0.33) | — | |
| SCHEMBL13766202 | 0.58 | NQO2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000143676-A | SILICON COMPOUND CONTAINING MULTIAROMATIC RING SUBSTITUTED BY TRIVINYLSILYL AND ITS PRODUCTION | KANEGAFUCHI CHEM IND CO LTD | 2000-05-26 | — | — | JP | disclosed |