⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20253850 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL575941 | 0.59 | — | — | |
| SCHEMBL576137 | 0.57 | — | — | |
| SCHEMBL10039241 | 0.57 | — | — | |
| SCHEMBL21235958 | 0.52 | — | — | |
| SCHEMBL18270925 | 0.52 | — | — | |
| SCHEMBL575891 | 0.52 | — | — | |
| SCHEMBL14689204 | 0.52 | — | — | |
| SCHEMBL821304 | 0.49 | — | — | |
| SCHEMBL10923850 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9711825-B2 | Lithium ion secondary battery | NEC CORPORATION (JP) | 2017-07-18 | — | — | US | disclosed |