⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25867853 | 0.76 | — | — | |
| SCHEMBL24152748 | 0.73 | — | — | |
| SCHEMBL27217288 | 0.71 | — | — | |
| SCHEMBL27926182 | 0.67 | — | — | |
| SCHEMBL23043424 | 0.64 | FPR2 (0.43) | — | |
| SCHEMBL7841754 | 0.64 | — | — | |
| SCHEMBL15897577 | 0.62 | — | — | |
| SCHEMBL18330879 | 0.62 | — | — | |
| SCHEMBL28026244 | 0.62 | — | — | |
| SCHEMBL27725000 | 0.59 | KDM4E (0.46) | — |
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-103420977-B | There is the acetylene-derivative of anti-tumor activity | 上海医药集团股份有限公司 | 2016-06-22 | — | — | CN | disclosed |