⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL110440 | 0.95 | — | — | |
| SCHEMBL28929305 | 0.90 | — | — | |
| SCHEMBL11153038 | 0.90 | — | — | |
| Methane SCHEMBL28120668 | 0.90 | — | — | |
| Fluoride SCHEMBL6803806 | 0.90 | — | — | |
| SCHEMBL9064027 | 0.90 | — | — | |
| SCHEMBL8935096 | 0.90 | — | — | |
| Ethylene SCHEMBL9567544 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL27273637 | 0.90 | — | — | |
| SCHEMBL28189805 | 0.90 | — | — |
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-105518915-A | Negative electrode for secondary batteries, secondary battery, battery pack, electric vehicle, electrical energy storage system, electric tool and electronic device | SONY CORP | 2016-04-20 | — | — | CN | disclosed |