⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2633045 | 1.00 | — | — | |
| SCHEMBL21660350 | 1.00 | — | — | |
| SCHEMBL4830064 | 0.89 | PIK3CD (0.35) | — | |
| SCHEMBL20212152 | 0.85 | S1PR2 (0.42) | — | |
| SCHEMBL19869110 | 0.85 | ALDH1A1 (0.44) | — | |
| SCHEMBL20212153 | 0.85 | S1PR2 (0.42) | — | |
| SCHEMBL13469096 | 0.83 | ALDH1A1 (0.47) | — | |
| SCHEMBL7947750 | 0.81 | S1PR2 (0.53) | — | |
| SCHEMBL15305568 | 0.81 | — | — | |
| SCHEMBL22519342 | 0.81 | — | — |
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-102245616-B | Method for producing organolithium compound and method for producing substituted aromatic compound | NIPPON SODA CO.,LTD. (JP) | 2016-03-30 | — | — | CN | disclosed |