⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24697559 | 0.80 | HTR2A (0.35) | — | |
| SCHEMBL4906472 | 0.63 | CYP1A2 (0.35) | — | |
| SCHEMBL9048605 | 0.63 | MAPK1 (0.36) | — | |
| SCHEMBL4908625 | 0.61 | KMT2A (0.43) | — | |
| SCHEMBL13777930 | 0.61 | KMT2A (0.46) | — | |
| SCHEMBL11418377 | 0.60 | HSP90AB1 (0.41) | — | |
| SCHEMBL4911163 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL9031152 | 0.59 | ALDH1A1 (0.35) | — | |
| SCHEMBL25619868 | 0.59 | KMT2A (0.37) | — | |
| SCHEMBL11826577 | 0.57 | KMT2A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4313967-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |