⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2916214 | 0.85 | GABRA5 (0.35) | — | |
| SCHEMBL4152747 | 0.84 | — | — | |
| SCHEMBL31436261 | 0.84 | — | — | |
| SCHEMBL3830497 | 0.84 | — | — | |
| SCHEMBL24531742 | 0.82 | FDPS (0.50) | — | |
| SCHEMBL3086112 | 0.82 | FDPS (0.50) | — | |
| Hydrochloric Acid SCHEMBL5709800 | 0.82 | FDPS (0.42) | — | |
| SCHEMBL19820361 | 0.82 | FDPS (0.50) | — | |
| Hydrochloric Acid SCHEMBL29642935 | 0.81 | FDPS (0.49) | — | |
| Hydrochloric Acid SCHEMBL5709804 | 0.81 | FDPS (0.49) | — |
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 |
| CN-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |