⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9443556 | 0.92 | PEPD (0.36) | — | |
| SCHEMBL1276821 | 0.85 | — | — | |
| SCHEMBL7754609 | 0.82 | — | — | |
| Ethylene SCHEMBL1008817 | 0.81 | — | — | |
| SCHEMBL27863157 | 0.80 | FDPS (0.50) | — | |
| SCHEMBL88353 | 0.80 | — | — | |
| SCHEMBL1276428 | 0.80 | FDPS (0.33) | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL18280349 | 0.79 | — | — | |
| Pyrophosphoric Acid SCHEMBL28333968 | 0.79 | FDPS (0.62) | — | |
| Propene SCHEMBL31494882 | 0.78 | — | — |
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-20080254361-A1 | Non-Aqueous Electrolyte for Battery and Non-Aqueous Electrolyte Secondary Battery Comprising the Same | BRIDGESTONE CORPORATION (JP) | 2008-10-16 | — | — | US | disclosed |