⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4056192 | 0.80 | — | — | |
| SCHEMBL5468 | 0.80 | — | — | |
| SCHEMBL5469 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7180849 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL21569238 | 0.76 | CA1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL15766028 | 0.76 | — | — | |
| SCHEMBL7265234 | 0.76 | — | — | |
| Potassium SCHEMBL1810820 | 0.76 | CA1 (0.36) | — | |
| SCHEMBL1810818 | 0.76 | CA1 (0.36) | — | |
| SCHEMBL2268366 | 0.76 | — | — |
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-113024565-B | Radioactive isotope carbon-14 labeled ibrutinib and synthesis method thereof | 上海启甄环境科技有限公司 | 2022-09-13 | — | — | CN | claimed |