⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL457322 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL856297 | 0.80 | — | — | |
| SCHEMBL803572 | 0.78 | — | — | |
| SCHEMBL3072169 | 0.75 | — | — | |
| SCHEMBL22728570 | 0.75 | — | — | |
| SCHEMBL3395618 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL184285 | 0.75 | — | — | |
| SCHEMBL28085887 | 0.73 | — | — | |
| SCHEMBL20985101 | 0.72 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL17476096 | 0.72 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114929712-B | Thienopyrimidinones as TRPA1 inhibitors | 勃林格殷格翰国际有限公司 | 2024-07-23 | — | — | CN | disclosed |
| EP-4323368-A1 | 3H,4H,5H,6H,7H-PYRIMIDO[4,5-B][1,4]OXAZINE-4,6-DIONE DERIVATIVES AS TRPA1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2024-02-21 | — | — | EP | disclosed |
| EP-4323364-A1 | IMIDAZO[4,5-D]PYRIDAZINONYL DERIVATIVES AS TRPA1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2024-02-21 | — | — | EP | disclosed |
| EP-4323355-A1 | URACIL DERIVATIVES AS TRPA1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2024-02-21 | — | — | EP | disclosed |
| EP-4323367-A1 | 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2024-02-21 | — | — | EP | disclosed |
| CN-117561264-A | 3H,4H,5H,6H, 7H-pyrimido [4,5-b ] [1,4] oxazine-4, 6-dione derivatives as TRPA1 inhibitors | 勃林格殷格翰国际有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-117545758-A | Imidazo [4,5-d ] pyridazinone derivatives as TRPA1 inhibitors | 勃林格殷格翰国际有限公司 | 2024-02-09 | — | — | CN | disclosed |
| US-11884681-B2 | 3H,4H,5H,6H,7H-pyrimido[4,5-b][1,4]oxazine-4,6-dione derivatives as TRPA1 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2024-01-30 | — | — | US | disclosed |
| US-11878981-B2 | Substituted 1,2,4-oxadiazoles as TRPA1 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2024-01-23 | — | — | US | disclosed |
| US-11858921-B2 | Uracil derivatives as TRPA1 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2024-01-02 | — | — | US | disclosed |
| CN-117083269-A | Uracil derivatives as TRPA1 inhibitors | 勃林格殷格翰国际有限公司 | 2023-11-17 | — | — | CN | disclosed |
| US-20220340580-A1 | IMIDAZO[4,5-D]PYRIDAZINONYL DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-10-27 | — | — | US | disclosed |
| US-20220340590-A1 | 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-10-27 | — | — | US | disclosed |
| WO-2022219012-A1 | 3H,4H,5H,6H,7H-PYRIMIDO[4,5-B][1,4]OXAZINE-4,6-DIONE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-10-20 | — | — | WO | disclosed |
| WO-2022219013-A1 | URACIL DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-10-20 | — | — | WO | disclosed |
| EP-4045509-A1 | THIENOPYRIMIDONES AS TRPA1 INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2022-08-24 | — | — | EP | disclosed |
| US-11136336-B2 | Thienopyrimidones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-10-05 | — | — | US | disclosed |
| WO-2021074196-A1 | THIENOPYRIMIDONES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-04-22 | — | — | WO | disclosed |
| US-20210107918-A1 | Novel Thienopyrimidones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-04-15 | — | — | US | disclosed |
| CN-101287722-A | Substituted piperazines as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2008-10-15 | — | — | CN | disclosed |