⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11983881 | 1.00 | — | — | |
| SCHEMBL15177706 | 0.84 | CA1 (0.40) | — | |
| SCHEMBL18307077 | 0.84 | — | — | |
| SCHEMBL8346404 | 0.84 | — | — | |
| SCHEMBL10646299 | 0.80 | TRPA1 (0.30) | — | |
| SCHEMBL4889810 | 0.79 | ESR2 (0.32) | — | |
| SCHEMBL25708575 | 0.79 | CNR2 (0.34) | — | |
| SCHEMBL15973362 | 0.78 | GLB1 (0.32) | — | |
| SCHEMBL2345485 | 0.77 | — | — | |
| SCHEMBL1863546 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111560021-B | Degaitinib intermediate and preparation method thereof | 上海鲲博玖瑞医药科技发展有限公司 | 2023-05-26 | — | — | CN | claimed |
| CN-111560021-B | Degaitinib intermediate and preparation method thereof | 上海鲲博玖瑞医药科技发展有限公司 | 2023-05-26 | — | — | CN | disclosed |