⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34408 | 0.89 | — | — | |
| SCHEMBL27584768 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL5485874 | 0.80 | — | — | |
| SCHEMBL27494025 | 0.80 | — | — | |
| Water SCHEMBL10945199 | 0.80 | — | — | |
| SCHEMBL2166444 | 0.80 | — | — | |
| SCHEMBL11467330 | 0.80 | — | — | |
| Bromide SCHEMBL11162750 | 0.80 | — | — | |
| SCHEMBL2421101 | 0.80 | — | — | |
| SCHEMBL28009544 | 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-105870436-A | Preparation method of lithium titanate negative electrode material for lithium ion battery | 何凤英 | 2016-08-17 | — | — | CN | disclosed |