⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19046232 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2274894 | 0.98 | SLC6A2 (0.37) | — | |
| SCHEMBL13156123 | 0.87 | IRAK4 (0.36) | — | |
| SCHEMBL2902230 | 0.87 | IRAK4 (0.36) | — | |
| SCHEMBL9928311 | 0.86 | SLC6A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2898936 | 0.85 | IRAK4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL2903694 | 0.84 | SLC6A2 (0.33) | — | |
| SCHEMBL18776489 | 0.80 | — | — | |
| SCHEMBL24080154 | 0.78 | SLC6A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL20745761 | 0.78 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106029660-B | P2X3And/or P2X2/3Compounds and methods | 阿萨纳生物科技有限责任公司 | 2019-11-15 | — | — | CN | claimed |
| CN-106029660-A | P2X 3 and/or P2X 2/3 compounds and methods | 阿萨纳生物科技有限责任公司 | 2016-10-12 | — | — | CN | claimed |
| US-12162888-B2 | Carboxamides as ubiquitin-specific protease inhibitors | VALO HEALTH, INC. (US) | 2024-12-10 | — | — | US | disclosed |
| WO-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| CN-106029660-B | P2X3And/or P2X2/3Compounds and methods | 阿萨纳生物科技有限责任公司 | 2019-11-15 | — | — | CN | disclosed |
| CN-106029660-A | P2X 3 and/or P2X 2/3 compounds and methods | 阿萨纳生物科技有限责任公司 | 2016-10-12 | — | — | CN | disclosed |
| EP-2245033-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| US-8008298-B2 | Pyrrolopyrazine kinase inhibitors | Roche Palo Alto (US) | 2011-08-30 | — | — | US | disclosed |
| US-8008298-B2 | Pyrrolopyrazine kinase inhibitors | Roche Palo Alto (US) | 2011-08-30 | — | — | US | disclosed |
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| US-20100267666-A1 | Pyrrolopyrazine kinase inhibitors | ROCHE PALO ALTO LLC | 2010-10-21 | — | — | US | disclosed |
| US-20100267666-A1 | Pyrrolopyrazine kinase inhibitors | ROCHE PALO ALTO LLC | 2010-10-21 | — | — | US | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |