⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4078135 | 0.84 | — | — | |
| SCHEMBL9009900 | 0.81 | — | — | |
| SCHEMBL15234029 | 0.72 | ADH1A (0.32) | — | |
| SCHEMBL2152599 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1041115 | 0.65 | — | — | |
| SCHEMBL15067993 | 0.64 | — | — | |
| SCHEMBL9930440 | 0.61 | ADH1A (0.35) | — | |
| SCHEMBL99037 | 0.60 | ADH1C (0.30) | — | |
| SCHEMBL2137599 | 0.56 | TSHR (0.41) | — | |
| SCHEMBL1170432 | 0.56 | PHGDH (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230365563-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2023-11-16 | — | — | US | disclosed |
| US-20230131025-A1 | QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | BETTA PHARMACEUTICALS CO., LTD. (CN) | 2023-04-27 | — | — | US | disclosed |
| US-20230131025-A1 | QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | BETTA PHARMACEUTICALS CO., LTD. (CN) | 2023-04-27 | — | — | US | disclosed |
| US-10273224-B2 | Substituted pyrimidine compounds, compositions and medicinal applications thereof | JUBILANT BIOSYS LIMITED (IN) | 2019-04-30 | — | — | US | disclosed |
| US-20160207905-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | BLUEPRINT MEDICINES CORPORATION | 2016-07-21 | — | — | US | disclosed |
| US-20160207905-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | BLUEPRINT MEDICINES CORPORATION | 2016-07-21 | — | — | US | disclosed |
| EP-2331552-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2013-02-27 | — | — | EP | disclosed |