⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22034340 | 0.79 | NOS3 (0.42) | — | |
| SCHEMBL1809929 | 0.78 | BUB1 (0.37) | — | |
| SCHEMBL23064182 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL25373535 | 0.78 | UHRF1 (0.48) | — | |
| SCHEMBL26632902 | 0.77 | — | — | |
| SCHEMBL6856436 | 0.75 | RECQL (0.39) | — | |
| SCHEMBL2185792 | 0.73 | VCAM1 (0.36) | — | |
| SCHEMBL16702172 | 0.73 | IAPP (0.36) | — | |
| SCHEMBL27749404 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL4591472 | 0.72 | GAA (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023161782-A1 | NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS | SATYARX PHARMA INNOVATIONS PVT LTD (IN) | 2023-08-31 | — | — | WO | disclosed |
| EP-3066093-A1 | GSK-3 INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-09-14 | — | — | EP | disclosed |
| WO-2015069594-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-14 | — | — | WO | disclosed |
| EP-2342190-A1 | BICYCLIC KINASE INHIBITORS | Novartis AG (CH) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010026121-A1 | BICYCLIC KINASE INHIBITORS | NOVARTIS AG (CH) | 2010-03-11 | — | — | WO | disclosed |