⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14744183 | 0.81 | DDAH1 (0.34) | — | |
| SCHEMBL22090192 | 0.81 | LMNA (0.38) | — | |
| SCHEMBL28076701 | 0.81 | DDAH1 (0.34) | — | |
| SCHEMBL11019367 | 0.79 | ALOX15 (0.36) | — | |
| SCHEMBL1079583 | 0.77 | — | — | |
| SCHEMBL228308 | 0.77 | — | — | |
| SCHEMBL11964810 | 0.77 | — | — | |
| SCHEMBL21304164 | 0.77 | — | — | |
| SCHEMBL1697378 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2715572 | 0.77 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | claimed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |
| US-5880158-A | TREATMENT OF EPILEPSY AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS | RESEARCH CORPORATION TECH., INC. (US) | 1999-03-09 | — | — | US | claimed |
| WO-2018208847-A1 | COMPOUNDS AND METHODS FOR TREATMENT OF PAIN FROM INFLAMMATORY BOWEL DISEASE | ARENA PHARMACEUTICALS, INC. (US) | 2018-11-15 | — | — | WO | disclosed |
| EP-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |
| US-5880158-A | TREATMENT OF EPILEPSY AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS | RESEARCH CORPORATION TECH., INC. (US) | 1999-03-09 | — | — | US | disclosed |
| WO-1998013336-A1 | PROPIONAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1998-04-02 | — | — | WO | disclosed |
| US-4536599-A | HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-08-20 | — | — | US | disclosed |
| EP-0040896-B1 | SYNTHESIS OF AMIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-04-25 | — | — | EP | disclosed |
| EP-0040896-A2 | Synthesis of amides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-12-02 | — | — | EP | disclosed |
| EP-0008532-A1 | Synthesis of amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-03-05 | — | — | EP | disclosed |