⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27871893 | 0.86 | CA1 (0.39) | — | |
| SCHEMBL28784786 | 0.83 | ZDHHC7 (0.43) | — | |
| SCHEMBL6717661 | 0.81 | — | — | |
| SCHEMBL10897949 | 0.81 | — | — | |
| SCHEMBL3632834 | 0.80 | — | — | |
| SCHEMBL8971958 | 0.79 | ALOX15 (0.42) | — | |
| SCHEMBL1512279 | 0.76 | CA14 (0.43) | — | |
| SCHEMBL304728 | 0.75 | CA12 (0.48) | — | |
| SCHEMBL3478490 | 0.73 | — | — | |
| SCHEMBL6051187 | 0.73 | TSHR (0.38) | — |
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-116096719-A | Pyridazinylamino derivatives as ALK5 inhibitors | 奇斯药制品公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-109771421-A | The method for treating vascular leak syndrome | 爱尔皮奥治疗有限公司 | 2019-05-21 | — | — | CN | disclosed |