⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL879405 | 0.78 | — | — | |
| SCHEMBL14768910 | 0.75 | — | — | |
| SCHEMBL23152937 | 0.71 | — | — | |
| SCHEMBL21573866 | 0.71 | — | — | |
| SCHEMBL13701208 | 0.69 | — | — | |
| SCHEMBL27367369 | 0.67 | PIK3CD (0.33) | — | |
| SCHEMBL18469419 | 0.67 | — | — | |
| SCHEMBL21263736 | 0.67 | — | — | |
| SCHEMBL18967264 | 0.66 | — | — | |
| SCHEMBL17690015 | 0.66 | CA12 (0.39) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4129996-A1 | NOVEL AMINOPYRIMIDINE EGFR INHIBITOR | QILU PHARMACEUTICAL CO., LTD. (CN) | 2023-02-08 | — | — | EP | disclosed |
| WO-2023275336-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-01-05 | — | — | WO | disclosed |
| EP-3497087-B1 | PYRROLO[1,2-C]PYRIMIDINE, IMIDAZO[1,5-C]PYRIMIDINE, QUINAZOLINE, PURINE AND IMIDAZO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | NEUPHARMA INC (US) | 2021-11-10 | — | — | EP | disclosed |
| WO-2019202052-A1 | INHIBITORS OF BLOOD COAGULATION FACTOR XIII | ZEDIRA GMBH (DE) | 2019-10-24 | — | — | WO | disclosed |
| WO-2019201432-A1 | INHIBITORS OF BLOOD COAGULATION FACTOR XIII | ZEDIRA GMBH (DE) | 2019-10-24 | — | — | WO | disclosed |
| EP-3508204-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Neupharma, Inc. (US) | 2019-07-10 | — | — | EP | disclosed |
| WO-2018130625-A1 | BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2018-07-19 | — | — | WO | disclosed |
| WO-2018035061-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2018-02-22 | — | — | WO | disclosed |
| WO-2017157332-A1 | AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF | 江苏恒瑞医药股份有限公司 | 2017-09-21 | — | — | WO | disclosed |