⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28291217 | 0.98 | — | — | |
| SCHEMBL14732396 | 0.93 | — | — | |
| SCHEMBL9241724 | 0.86 | LMNA (0.33) | — | |
| SCHEMBL14732399 | 0.85 | — | — | |
| SCHEMBL30120031 | 0.84 | FAAH (0.32) | — | |
| SCHEMBL14732308 | 0.83 | — | — | |
| SCHEMBL17830676 | 0.83 | — | — | |
| SCHEMBL14732432 | 0.83 | — | — | |
| SCHEMBL10480973 | 0.82 | LMNA (0.31) | — | |
| SCHEMBL14732361 | 0.82 | FAAH (0.33) | — |
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-110158060-A | A kind of multilayered structure and preparation method thereof | 清华大学深圳研究生院 | 2019-08-23 | — | — | CN | claimed |