⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL492397 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL3810977 | 0.96 | PIM1 (0.36) | — | |
| SCHEMBL381051 | 0.82 | — | — | |
| SCHEMBL5025752 | 0.81 | IKBKE (0.38) | — | |
| SCHEMBL11903654 | 0.81 | IKBKE (0.38) | — | |
| SCHEMBL4048108 | 0.81 | KDM4A (0.41) | — | |
| Hydrochloric Acid SCHEMBL25221294 | 0.80 | HASPIN (0.37) | — | |
| Water SCHEMBL27309708 | 0.80 | HASPIN (0.37) | — | |
| SCHEMBL3233764 | 0.78 | IKBKE (0.38) | — | |
| SCHEMBL30995281 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110003200-B | P2X7 modulators | 詹森药业有限公司 | 2021-11-26 | — | — | CN | disclosed |