⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL433292 | 0.77 | MCL1 (0.48) | — | |
| SCHEMBL29089030 | 0.74 | — | — | |
| SCHEMBL27849982 | 0.74 | MCL1 (0.46) | — | |
| SCHEMBL27496508 | 0.74 | MCL1 (0.46) | — | |
| SCHEMBL585988 | 0.74 | — | — | |
| SCHEMBL17768587 | 0.74 | — | — | |
| SCHEMBL902568 | 0.72 | — | — | |
| SCHEMBL6890414 | 0.72 | MCL1 (0.43) | — | |
| SCHEMBL18643738 | 0.72 | — | — | |
| SCHEMBL180857 | 0.72 | — | — |
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-106243028-A | A kind of oxidation step synthesizes the method for 2 chlorine apellagrins | 南京红太阳生物化学有限责任公司 | 2016-12-21 | — | — | CN | disclosed |