⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27547946 | 0.98 | — | — | |
| Bromide SCHEMBL28038390 | 0.98 | — | — | |
| SCHEMBL27976408 | 0.78 | — | — | |
| SCHEMBL27973162 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL28313069 | 0.76 | — | — | |
| SCHEMBL27366459 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL18260660 | 0.75 | — | — | |
| SCHEMBL28419013 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL27567112 | 0.73 | — | — | |
| SCHEMBL27315058 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104350641-A | Additives for zinc-bromine membraneless flow cells | BROMINE COMPOUNDS LTD | 2015-02-11 | — | — | CN | claimed |
| CN-103959533-A | Additives for hydrogen/bromine cells | BROMINE COMPOUNDS LTD | 2014-07-30 | — | — | CN | claimed |
| CN-104350641-A | Additives for zinc-bromine membraneless flow cells | BROMINE COMPOUNDS LTD | 2015-02-11 | — | — | CN | disclosed |
| CN-103959533-A | Additives for hydrogen/bromine cells | BROMINE COMPOUNDS LTD | 2014-07-30 | — | — | CN | disclosed |
| EP-0628021-A4 | PRODUCTION OF ARYL ETHANOLS. | — | 1995-01-04 | — | — | EP | disclosed |
| EP-0628021-A1 | PRODUCTION OF ARYL ETHANOLS | HOECHST CELANESE CORPORATION (US) | 1994-12-14 | — | — | EP | disclosed |
| US-5254753-A | Production of aryl ethanols | HOECHST CELANESE CORPORATION (US) | 1993-10-19 | — | — | US | disclosed |
| WO-1993016975-A1 | PRODUCTION OF ARYL ETHANOLS | HOECHST CELANESE CORPORATION (US) | 1993-09-02 | — | — | WO | disclosed |