⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27671545 | 0.86 | TP53 (0.33) | — | |
| SCHEMBL28227384 | 0.84 | TP53 (0.32) | — | |
| SCHEMBL13949509 | 0.78 | — | — | |
| SCHEMBL821336 | 0.77 | TP53 (0.33) | — | |
| SCHEMBL25604251 | 0.77 | TP53 (0.33) | — | |
| SCHEMBL19654576 | 0.77 | TP53 (0.33) | — | |
| SCHEMBL2058250 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL19654575 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL21688629 | 0.75 | ALDH1A1 (0.40) | — | |
| Tetramethylammonium Ion SCHEMBL9710136 | 0.75 | TSHR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101068567-A | Chimeric phage-derived particles, methods of making and uses thereof | HANSENS LAB (DK) | 2007-11-07 | — | — | CN | claimed |
| CN-101068567-A | Chimeric phage-derived particles, methods of making and uses thereof | HANSENS LAB (DK) | 2007-11-07 | — | — | CN | disclosed |