⚠ 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 SCHEMBL9862389 | 0.98 | HDAC8 (0.96) | — | |
| Water SCHEMBL9243408 | 0.78 | HDAC8 (0.61) | — | |
| SCHEMBL5162501 | 0.77 | — | — | |
| SCHEMBL9453249 | 0.76 | HDAC8 (0.61) | — | |
| Iodide SCHEMBL10528918 | 0.76 | HDAC8 (0.61) | — | |
| SCHEMBL9453252 | 0.76 | HDAC8 (0.61) | — | |
| Styrene SCHEMBL2988659 | 0.73 | HDAC8 (0.82) | — | |
| SCHEMBL13822483 | 0.72 | HDAC8 (0.57) | — | |
| SCHEMBL8069063 | 0.72 | HDAC8 (0.57) | — | |
| SCHEMBL8069065 | 0.72 | HDAC8 (0.57) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9527011-B2 | Method for removing polycyclic aromatic hydrocarbons | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2016-12-27 | — | — | US | claimed |
| US-20110159160-A1 | Method for Removing Polycyclic Aromatic Hydrocarbons | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2011-06-30 | — | — | US | claimed |
| EP-2138214-A1 | A method for removing polycyclic aromatic hydrocarbons | British American Tobacco (Investments) Limited (GB) | 2009-12-30 | — | — | EP | claimed |
| US-9527011-B2 | Method for removing polycyclic aromatic hydrocarbons | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2016-12-27 | — | — | US | disclosed |
| US-9356318-B2 | Gel polymer electrolyte composition | KURARAY CO., LTD. (JP) | 2016-05-31 | — | — | US | disclosed |
| EP-2524932-B1 | GEL POLYMER ELECTROLYTE COMPOSITION | KURARAY CO (JP) | 2015-11-25 | — | — | EP | disclosed |
| US-20120321963-A1 | GEL POLYMER ELECTROLYTE COMPOSITION | KURARAY CO., LTD. (JP) | 2012-12-20 | — | — | US | disclosed |
| EP-2524932-A1 | GEL POLYMER ELECTROLYTE COMPOSITION | Kuraray Co., Ltd. (JP) | 2012-11-21 | — | — | EP | disclosed |
| US-20110159160-A1 | Method for Removing Polycyclic Aromatic Hydrocarbons | BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) | 2011-06-30 | — | — | US | disclosed |
| EP-2138214-A1 | A method for removing polycyclic aromatic hydrocarbons | British American Tobacco (Investments) Limited (GB) | 2009-12-30 | — | — | EP | disclosed |