⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28815393 | 0.98 | EPHX1 (0.36) | — | |
| SCHEMBL11882336 | 0.95 | EPHX1 (0.42) | — | |
| SCHEMBL22627429 | 0.93 | EPHX1 (0.45) | — | |
| SCHEMBL1427273 | 0.93 | EPHX1 (0.45) | — | |
| SCHEMBL22534832 | 0.93 | EPHX1 (0.45) | — | |
| SCHEMBL27991856 | 0.91 | EPHX1 (0.44) | — | |
| SCHEMBL75439 | 0.90 | — | — | |
| SCHEMBL27991687 | 0.88 | — | — | |
| SCHEMBL3304240 | 0.80 | PIK3CD (0.37) | — | |
| SCHEMBL27957243 | 0.80 | EPHX1 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107266419-A | Specific amino pyridazine class, thing in combination, and its application method | 赛特凯恩蒂克公司 | 2017-10-20 | — | — | CN | disclosed |
| CN-106986832-A | Vegfr3 inhibitor | 癌症治疗合作研究中心有限公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-103002897-B | Certain amino-pyridazines, compositions thereof, and methods of use thereof | 赛特凯恩蒂克公司 | 2017-06-09 | — | — | CN | disclosed |