⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12432727 | 0.71 | PARP1 (0.52) | — | |
| SCHEMBL12432738 | 0.71 | PARP1 (0.52) | — | |
| SCHEMBL30019443 | 0.71 | PARP1 (0.52) | — | |
| SCHEMBL5381840 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL2300648 | 0.69 | PARP1 (0.55) | — | |
| SCHEMBL31625660 | 0.69 | PDE3B (0.52) | — | |
| SCHEMBL259923 | 0.69 | PDE3B (0.52) | — | |
| SCHEMBL972999 | 0.69 | ACHE (0.78) | — | |
| SCHEMBL29642993 | 0.69 | ACHE (0.78) | — | |
| SCHEMBL12396541 | 0.69 | CHUK (0.78) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2966075-A1 | CERTAIN TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CANCER. | Hutchison Medipharma Limited (CN) | 2016-01-13 | — | — | EP | disclosed |