⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25794665 | 0.88 | — | — | |
| SCHEMBL25799816 | 0.80 | — | — | |
| SCHEMBL23966684 | 0.76 | POLB (0.34) | — | |
| SCHEMBL25795719 | 0.74 | — | — | |
| SCHEMBL24033682 | 0.71 | ALOX5AP (0.30) | — | |
| SCHEMBL19252584 | 0.66 | NPC1 (0.33) | — | |
| SCHEMBL12458946 | 0.65 | POLB (0.36) | — | |
| SCHEMBL19505051 | 0.65 | — | — | |
| SCHEMBL19602560 | 0.64 | — | — | |
| SCHEMBL25086287 | 0.63 | CNR2 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230203045-A1 | INHIBITORS OF NEK7 KINASE | Halia Therapeutics, Inc. | 2023-06-29 | — | — | US | disclosed |