⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27701475 | 0.89 | — | — | |
| SCHEMBL28118710 | 0.89 | — | — | |
| SCHEMBL153522 | 0.89 | — | — | |
| SCHEMBL28671337 | 0.80 | — | — | |
| SCHEMBL29104403 | 0.80 | — | — | |
| SCHEMBL28329619 | 0.80 | — | — | |
| SCHEMBL7632347 | 0.80 | — | — | |
| SCHEMBL11025912 | 0.80 | — | — | |
| SCHEMBL1115973 | 0.80 | — | — | |
| SCHEMBL27988268 | 0.80 | — | — |
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-103875102-B | Anode material for lithium ion battery | 德州系统大学董事会 | 2017-08-08 | — | — | CN | disclosed |