⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10716927 | 0.75 | — | — | |
| SCHEMBL2482912 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL27629510 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL22640468 | 0.66 | MEN1 (0.32) | — | |
| SCHEMBL2145456 | 0.64 | KDM4E (0.39) | — | |
| SCHEMBL2380251 | 0.64 | — | — | |
| SCHEMBL10517267 | 0.64 | — | — | |
| SCHEMBL14123727 | 0.64 | — | — | |
| SCHEMBL22670233 | 0.63 | — | — | |
| SCHEMBL10990136 | 0.61 | — | — |
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-106146478-A | Triazine derivatives species anaplastic lymphoma kinase ALK Alk receptor tyrosine kinase inhibitor | 山东轩竹医药科技有限公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-103168274-B | EUV lithography resistant upper layer film formation compositions | 日产化学工业株式会社 | 2016-07-06 | — | — | CN | disclosed |
| CN-103827159-B | diaryl amine novolac resin | 日产化学工业株式会社 | 2016-07-06 | — | — | CN | disclosed |