⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7672360 | 0.77 | — | — | |
| SCHEMBL13321664 | 0.77 | — | — | |
| SCHEMBL9063687 | 0.77 | — | — | |
| SCHEMBL16301558 | 0.75 | — | — | |
| SCHEMBL23589684 | 0.75 | — | — | |
| SCHEMBL19431032 | 0.74 | — | — | |
| SCHEMBL13397822 | 0.74 | — | — | |
| SCHEMBL25631808 | 0.73 | ADH1B (0.32) | — | |
| SCHEMBL22642288 | 0.71 | — | — | |
| SCHEMBL5300474 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4010080-B1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | ARTIOS PHARMA LTD (GB) | 2023-09-27 | — | — | EP | disclosed |
| WO-2021188667-A1 | TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-09-23 | — | — | WO | disclosed |
| WO-2005007641-A1 | 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN | EURO-CELTIQUE S.A. (LU) | 2005-01-27 | — | — | WO | disclosed |