⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20671391 | 0.81 | SELL (0.32) | — | |
| SCHEMBL3978351 | 0.78 | — | — | |
| SCHEMBL12310914 | 0.78 | MEN1 (0.39) | — | |
| SCHEMBL926802 | 0.78 | TAS1R3 (0.35) | — | |
| SCHEMBL24254727 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL20671392 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL20671390 | 0.75 | HDAC1 (0.31) | — | |
| SCHEMBL20671234 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL3975532 | 0.74 | — | — | |
| Water SCHEMBL22129214 | 0.73 | TAS1R3 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7585590-B2 | Rechargeable lithium-ion cell with triphenylamine redox shuttle | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2009-09-08 | — | — | US | claimed |
| EP-1994600-A2 | RECHARGEABLE LITHIUM-ION CELL WITH TRIPHENYLAMINE REDOX SHUTTLE | 3M Innovative Properties Company (US) | 2008-11-26 | — | — | EP | claimed |
| WO-2007097912-A2 | RECHARGEABLE LITHIUM-ION CELL WITH TRIPHENYLAMINE REDOX SHUTTLE | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2007-08-30 | — | — | WO | claimed |
| US-20070196727-A1 | Rechargeable Lithium-Ion Cell with Triphenylamine Redox Shuttle | 3M INNOVATIVE PROPERTIES COMPANY | 2007-08-23 | — | — | US | claimed |
| US-10840452-B2 | Organic electronic material including charge transport polymer or oligomer having structural unit containing aromatic amine structure substituted with fluorine atom, organic electronic element, and organic electroluminescent element | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2020-11-17 | — | — | US | disclosed |
| US-20200185610-A1 | ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2020-06-11 | — | — | US | disclosed |
| US-20190027689-A1 | ORGANIC ELECTRONIC MATERIAL, ORGANIC ELECTRONIC ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT | RESONAC CORPORATION (JP) | 2019-01-24 | — | — | US | disclosed |