⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12038515 | 0.94 | ALDH1A1 (0.35) | — | |
| SCHEMBL3437036 | 0.92 | FYN (0.35) | — | |
| SCHEMBL13791869 | 0.92 | FYN (0.35) | — | |
| SCHEMBL24185469 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL25467992 | 0.83 | LMNA (0.41) | — | |
| SCHEMBL18035317 | 0.83 | FYN (0.31) | — | |
| SCHEMBL24185555 | 0.82 | — | — | |
| SCHEMBL3437026 | 0.82 | TDP1 (0.35) | — | |
| SCHEMBL23588990 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL25853905 | 0.81 | ALDH1A1 (0.44) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023098832-A1 | PYRIDOPYRIMIDINE DERIVATIVES SERVING AS SMALL GTP ENZYME KRAS MUTATION INHIBITORS | 思路迪生物医药(上海)有限公司 | 2023-06-08 | — | — | WO | disclosed |
| WO-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |
| WO-2022087624-A1 | COMPOUNDS AS RAS INHIBITORS AND USES THEREOF | BIOARDIS LLC (US) | 2022-04-28 | — | — | WO | disclosed |
| WO-2022002100-A1 | NOVEL BENZIMIDAZOLE COMPOUND | 微境生物医药科技(上海)有限公司 | 2022-01-06 | — | — | WO | disclosed |
| EP-3885344-A2 | PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | InventisBio Co., Ltd. (CN) | 2021-09-29 | — | — | EP | disclosed |
| US-20210070772-A1 | ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS | Bugworks Research, Inc. | 2021-03-11 | — | — | US | disclosed |
| US-20170355696-A1 | PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | InventisBio Co., Ltd. (CN) | 2017-12-14 | — | — | US | disclosed |
| EP-3216786-A1 | PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | Shanghai Shaletech Technology Co., Ltd. (CN) | 2017-09-13 | — | — | EP | disclosed |
| US-20170197945-A1 | 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2017-07-13 | — | — | US | disclosed |
| US-20160297774-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2016-10-13 | — | — | US | disclosed |