⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20099 | 1.00 | — | — | |
| Methane SCHEMBL14630339 | 0.97 | — | — | |
| SCHEMBL1256526 | 0.82 | PIK3CD (0.37) | — | |
| SCHEMBL1024624 | 0.75 | — | — | |
| SCHEMBL29985108 | 0.75 | — | — | |
| SCHEMBL103808 | 0.75 | — | — | |
| SCHEMBL11528959 | 0.71 | MAPKAPK2 (0.32) | — | |
| SCHEMBL12501047 | 0.71 | LMNA (0.48) | — | |
| SCHEMBL28173312 | 0.68 | MAP4K4 (0.48) | — | |
| Pyrazine SCHEMBL8836982 | 0.67 | HSP90AA1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024147703-A1 | SHP2 INHIBITOR AND USES THEREOF | 주식회사 카나프테라퓨틱스 | 2024-07-11 | — | — | WO | disclosed |
| EP-4329881-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | Vanqua Bio, Inc. (US) | 2024-03-06 | — | — | EP | disclosed |
| CN-116583577-A | Heteroaromatic isothiocyanates | 默克专利股份有限公司 | 2023-08-11 | — | — | CN | disclosed |
| WO-2022232383-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | VANQUA BIO, INC. (US) | 2022-11-03 | — | — | WO | disclosed |