⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4279 | 0.90 | — | — | |
| SCHEMBL1060400 | 0.90 | CHRNB2 (0.36) | — | |
| SCHEMBL1506461 | 0.90 | CHRNB2 (0.36) | — | |
| SCHEMBL890380 | 0.90 | CHRNB2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL1880027 | 0.87 | — | — | |
| Methylene Chloride SCHEMBL28302293 | 0.86 | CES2 (0.50) | — | |
| SCHEMBL1278739 | 0.86 | KMT2A (0.42) | — | |
| Bicarbonate SCHEMBL27911841 | 0.84 | LMNA (0.35) | — | |
| SCHEMBL1087909 | 0.84 | CHRNB2 (0.33) | — | |
| SCHEMBL8527069 | 0.82 | KMT2A (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-107001368-A | The 1,9 diazaspiracyclic hendecane compounds with the anti-pain activity of multiplex mode | 埃斯特韦博士实验室股份公司 | 2017-08-01 | — | — | CN | disclosed |