⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82645 | 0.65 | — | — | |
| SCHEMBL2007628 | 0.65 | — | — | |
| SCHEMBL452564 | 0.61 | — | — | |
| SCHEMBL1996526 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL30870484 | 0.56 | MAPK1 (0.35) | — | |
| SCHEMBL2009078 | 0.56 | — | — | |
| SCHEMBL3664422 | 0.56 | — | — | |
| SCHEMBL30751016 | 0.55 | ATM (0.38) | — | |
| SCHEMBL19250472 | 0.55 | GSK3B (0.39) | — | |
| SCHEMBL2561531 | 0.55 | — | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2897618-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2021-11-17 | — | — | EP | claimed |
| US-10457641-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2019-10-29 | — | — | US | claimed |
| US-20170334859-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2017-11-23 | — | — | US | claimed |
| US-9688635-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2017-06-27 | — | — | US | claimed |
| US-20150246885-A1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2015-09-03 | — | — | US | claimed |
| EP-2897618-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Neupharma, Inc. (US) | 2015-07-29 | — | — | EP | claimed |
| WO-2014047648-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2014-03-27 | — | — | WO | claimed |
| US-20100190777-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2010-07-29 | — | — | US | claimed |
| EP-2170830-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2010-04-07 | — | — | EP | claimed |
| WO-2009012283-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2009-01-22 | — | — | WO | claimed |
| US-20210353602-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC (US) | 2021-11-18 | — | — | US | disclosed |
| EP-2897618-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2021-11-17 | — | — | EP | disclosed |
| US-20210346358-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC (US) | 2021-11-11 | — | — | US | disclosed |
| CN-104812389-B | Certain chemical entities, compositions, and methods | 润新生物公司 | 2020-07-17 | — | — | CN | disclosed |
| US-10457641-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2019-10-29 | — | — | US | disclosed |
| WO-2008103866-A1 | SYNTHESIS OF INDOLES | MICROBIA, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| EP-1931632-A2 | USEFUL INDOLE COMPOUNDS | Microbia Inc. (US) | 2008-06-18 | — | — | EP | disclosed |
| WO-2008019357-A2 | INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |
| US-20070203209-A1 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. | 2007-08-30 | — | — | US | disclosed |
| WO-2007022501-A2 | USEFUL INDOLE COMPOUNDS | MICROBIA, INC. (US) | 2007-02-22 | — | — | WO | disclosed |