⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23855444 | 0.80 | — | — | |
| SCHEMBL1817956 | 0.80 | — | — | |
| SCHEMBL1816557 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL1817571 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL1013212 | 0.72 | — | — | |
| SCHEMBL29614877 | 0.72 | — | — | |
| SCHEMBL1968056 | 0.72 | — | — | |
| SCHEMBL4964198 | 0.72 | — | — | |
| SCHEMBL724770 | 0.72 | — | — | |
| SCHEMBL6757361 | 0.72 | ALDH1A1 (0.50) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170155053-A1 | Molecular and Polymeric Semiconductors and Related Devices | USINVEST LLC | 2017-06-01 | — | — | US | disclosed |
| US-20170155053-A1 | Molecular and Polymeric Semiconductors and Related Devices | USINVEST LLC | 2017-06-01 | — | — | US | disclosed |
| US-20170155053-A1 | Molecular and Polymeric Semiconductors and Related Devices | USINVEST LLC | 2017-06-01 | — | — | US | disclosed |
| CN-104140415-B | Alpha, beta unsaturated ketone compounds containing benzo five-membered unsaturated heterocycle structures as well as preparation method and application of compounds | 中国医学科学院医药生物技术研究所 | 2017-02-15 | — | — | CN | disclosed |
| WO-2016025632-A1 | MOLECULAR AND POLYMERIC SEMICONDUCTORS AND RELATED DEVICES | POLYERA CORPORATION (US) | 2016-02-18 | — | — | WO | disclosed |
| WO-2016025632-A1 | MOLECULAR AND POLYMERIC SEMICONDUCTORS AND RELATED DEVICES | POLYERA CORPORATION (US) | 2016-02-18 | — | — | WO | disclosed |
| CN-104140415-A | Alpha, beta unsaturated ketone compounds containing benzo five-membered unsaturated heterocycle structures as well as preparation method and application of compounds | INST MED BIOTECHNOLOGY CAMS | 2014-11-12 | — | — | CN | disclosed |
| US-20090162283-A1 | DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION | FUJIFILM RI PHARMA CO., LTD. (JP) | 2009-06-25 | — | — | US | disclosed |
| EP-1956013-A1 | DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION | Fujifilm RI Pharma Co., Ltd. (JP) | 2008-08-13 | — | — | EP | disclosed |