⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17787299 | 0.78 | — | — | |
| SCHEMBL22811495 | 0.70 | TRPA1 (0.48) | — | |
| SCHEMBL11574457 | 0.68 | — | — | |
| Isothiocyanate SCHEMBL6579931 | 0.67 | LMNA (0.39) | — | |
| SCHEMBL6579928 | 0.64 | TRPA1 (0.46) | — | |
| SCHEMBL3123999 | 0.64 | — | — | |
| SCHEMBL6375588 | 0.63 | — | — | |
| SCHEMBL4899893 | 0.63 | LMNA (0.37) | — | |
| SCHEMBL157863 | 0.63 | — | — | |
| SCHEMBL1476871 | 0.63 | LMNA (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2646445-A1 | OXAZOLO [5, 4 -B]PYRIDIN- 5 -YL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER | Eli Lilly and Company (US) | 2013-10-09 | — | — | EP | disclosed |
| WO-2012074761-A1 | OXAZOLO [5, 4 -B] PYRIDIN- 5 -YL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER | ELI LILLY AND COMPANY (US) | 2012-06-07 | — | — | WO | disclosed |