⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23899481 | 0.76 | — | — | |
| SCHEMBL14095560 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL271741 | 0.71 | — | — | |
| SCHEMBL10011724 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL17219547 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL10011723 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL8164841 | 0.69 | TP53 (0.32) | — | |
| SCHEMBL12462671 | 0.69 | — | — | |
| SCHEMBL13089248 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL17219156 | 0.69 | HCAR2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009141575-A1 | INHIBITORS OF PLK | CHROMA THERAPEUTICS LTD. (GB) | 2009-11-26 | — | — | WO | disclosed |