⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL176566 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27448008 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11137208 | 0.93 | — | — | |
| SCHEMBL28265811 | 0.93 | — | — | |
| SCHEMBL28033889 | 0.93 | — | — | |
| Bicarbonate SCHEMBL10653459 | 0.85 | TAS2R38 (0.48) | — | |
| Oxalic Acid SCHEMBL5458052 | 0.83 | TAS2R38 (0.46) | — | |
| Phosphoric Acid SCHEMBL27574311 | 0.83 | TAS2R38 (0.40) | — | |
| Acetic Acid SCHEMBL28266501 | 0.81 | TAS2R38 (0.56) | — | |
| Biguanide SCHEMBL28269570 | 0.79 | TSHR (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9793566-B2 | Aqueous electrolytes for redox flow battery systems | BATTELLE MEMORIAL INSTITUTE (US) | 2017-10-17 | — | — | US | disclosed |
| US-20160308233-A1 | AQUEOUS ELECTROLYTES FOR REDOX FLOW BATTERY SYSTEMS | BATTELLE MEMORIAL INSTITUTE (US) | 2016-10-20 | — | — | US | disclosed |
| WO-2016168459-A1 | AQUEOUS ELECTROLYTES FOR REDOX FLOW BATTERY SYSTEMS | BATTELLE MEMORIAL INSTITUTE (US) | 2016-10-20 | — | — | WO | disclosed |