⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3148910 | 0.78 | HCAR2 (0.53) | — | |
| SCHEMBL4521656 | 0.77 | DAO (0.37) | — | |
| SCHEMBL25249862 | 0.77 | — | — | |
| SCHEMBL19045238 | 0.77 | — | — | |
| SCHEMBL1072255 | 0.76 | — | — | |
| SCHEMBL9078687 | 0.75 | — | — | |
| SCHEMBL31284154 | 0.75 | — | — | |
| SCHEMBL27673339 | 0.75 | — | — | |
| SCHEMBL16619955 | 0.72 | HCAR2 (0.43) | — | |
| SCHEMBL16619865 | 0.72 | HCAR2 (0.47) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025080653-A1 | PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUNDS ACTING AGAINST CANCERS, INFLAMMATORY DISEASES, AND FIBROTIC DISEASE VIA INTERACTION WITH RAS SUPERFAMILY PROTEINS | SHY THERAPEUTICS, LLC (US) | 2025-04-17 | — | — | WO | disclosed |
| CN-111527090-B | Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors | 拜耳公司 | 2023-05-26 | — | — | CN | disclosed |
| US-11319324-B2 | Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2022-05-03 | — | — | US | disclosed |
| US-11319324-B2 | Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2022-05-03 | — | — | US | disclosed |
| EP-3700907-B1 | NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS | BAYER AG (DE) | 2022-03-09 | — | — | EP | disclosed |
| US-20210317128-A1 | NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-10-14 | — | — | US | disclosed |
| US-20210317128-A1 | NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-10-14 | — | — | US | disclosed |
| CN-111527090-A | Novel pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors | 拜耳公司 | 2020-08-11 | — | — | CN | disclosed |
| US-10584128-B2 | Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors | CHIESI FARMACEUTICI S.P.A. (IT) | 2020-03-10 | — | — | US | disclosed |
| US-20180170939-A1 | BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS | CHIESI FARMACEUTISI S.p.A. (IT) | 2018-06-21 | — | — | US | disclosed |
| EP-1595866-B1 | Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome | SANWA KAGAKU KENKYUSHO CO (JP) | 2016-06-08 | — | — | EP | disclosed |
| CN-100434420-C | Compounds that block dipeptidyl peptidase IV | SANWA KAGAKU KENKYUSHO CO (JP) | 2008-11-19 | — | — | CN | disclosed |
| US-7345180-B2 | Compound inhibiting dipeptidyl peptidase IV | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 2008-03-18 | — | — | US | disclosed |
| US-20060229286-A1 | Compound inhibiting dipeptidyl peptidase IV | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 2006-10-12 | — | — | US | disclosed |
| CN-1745063-A | Compound inhibiting dipeptidyl peptidase iv | SANWA KAGAKU KENKYUSHO CO (JP) | 2006-03-08 | — | — | CN | disclosed |
| EP-1595866-A1 | COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV | Sanwa Kagaku Kenkyusho Co., Ltd. (JP) | 2005-11-16 | — | — | EP | disclosed |