⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9572084 | 0.83 | — | — | |
| SCHEMBL21418958 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL9566533 | 0.81 | — | — | |
| SCHEMBL18151564 | 0.78 | HRH3 (0.31) | — | |
| SCHEMBL13455183 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL21357318 | 0.76 | HRH3 (0.30) | — | |
| SCHEMBL19045067 | 0.74 | HRH3 (0.33) | — | |
| SCHEMBL733463 | 0.72 | — | — | |
| SCHEMBL22906042 | 0.72 | — | — | |
| SCHEMBL733462 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025040167-A1 | PHOSPHOINOSITIDE 3-KINASE ALLOSTERIC INHIBITOR FOR TREATING DISEASE RELATED TO PI3K REGULATION | 上海艾力斯医药科技股份有限公司 | 2025-02-27 | — | — | WO | disclosed |
| US-10005737-B2 | Methods of regioselective synthesis of 2,4-disubstituted pyrimidines | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-26 | — | — | US | disclosed |
| US-20170073315-A1 | METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES | VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) | 2017-03-16 | — | — | US | disclosed |
| US-9533959-B2 | Methods of regioselective synthesis of 2,4-disubstituted pyrimidines | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-01-03 | — | — | US | disclosed |
| US-20160159749-A1 | METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES | VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) | 2016-06-09 | — | — | US | disclosed |
| US-9296727-B2 | Methods of regioselective synthesis of 2,4-disubstituted pyrimidines | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-03-29 | — | — | US | disclosed |
| US-20150099875-A1 | METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES | VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) | 2015-04-09 | — | — | US | disclosed |
| US-20140309413-A1 | METHODS OF STEREOSELECTIVE SYNTHESIS OF SUBSTITUTED NUCLEOSIDE ANALOGS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-16 | — | — | US | disclosed |
| EP-2121656-A1 | INHIBITORS OF SERINE PALMITOYLTRANSFERASE | Pfizer Products Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080287479-A1 | INHIBITORS OF SERINE PALMITOYLTRANSFERASE | PFIZER INC | 2008-11-20 | — | — | US | disclosed |
| WO-2008084300-A1 | INHIBITORS OF SERINE PALMITOYLTRANSFERASE | PFIZER PRODUCTS INC. (US) | 2008-07-17 | — | — | WO | disclosed |