⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28327707 | 0.79 | — | — | |
| SCHEMBL29219454 | 0.72 | — | — | |
| SCHEMBL833965 | 0.71 | — | — | |
| Water SCHEMBL19837703 | 0.69 | — | — | |
| SCHEMBL3902911 | 0.67 | — | — | |
| SCHEMBL3890027 | 0.67 | — | — | |
| SCHEMBL1014426 | 0.65 | CA1 (0.37) | — | |
| SCHEMBL2341384 | 0.65 | CA1 (0.37) | — | |
| SCHEMBL28716435 | 0.65 | CA1 (0.37) | — | |
| SCHEMBL30838774 | 0.65 | CA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023151574-A1 | HETEROCYCLIC GLP-1 AGONISTS | GASHERBRUM BIO INC. (US) | 2023-08-17 | — | — | WO | disclosed |
| CN-113166078-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors | 伊迪亚生物科学有限公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-112739343-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-04-30 | — | — | CN | disclosed |