⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21465808 | 0.85 | — | — | |
| SCHEMBL15544802 | 0.67 | — | — | |
| SCHEMBL12075907 | 0.61 | — | — | |
| SCHEMBL2051934 | 0.61 | — | — | |
| SCHEMBL14940650 | 0.59 | — | — | |
| SCHEMBL17338564 | 0.58 | — | — | |
| SCHEMBL31481251 | 0.58 | MEN1 (0.36) | — | |
| SCHEMBL165813 | 0.57 | — | — | |
| SCHEMBL5089685 | 0.56 | — | — | |
| SCHEMBL11895656 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4271675-A1 | ANTI-TUMOR COMPOSITIONS AND METHODS | Evrys Bio, LLC (US) | 2023-11-08 | — | — | EP | disclosed |
| EP-4225447-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022147210-A1 | ANTI-TUMOR COMPOSITIONS AND METHODS | EVRYS BIO, LLC (US) | 2022-07-07 | — | — | WO | disclosed |
| WO-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2019200120-A1 | DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS | LYCERA CORPORATION (US) | 2019-10-17 | — | — | WO | disclosed |
| US-8735411-B2 | Macrocyclic benzofused pyrimidine derivatives | ABBVIE INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-8436005-B2 | Macrocyclic pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2013-05-07 | — | — | US | disclosed |
| US-8278313-B2 | Macrocyclic spiro pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2012-10-02 | — | — | US | disclosed |
| US-20090253678-A1 | MACROCYCLIC PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2009-10-08 | — | — | US | disclosed |
| US-20090233904-A1 | Macrocyclic Spiro Pyrimidine Derivatives | ABBOTT LABORATORIES (US) | 2009-09-17 | — | — | US | disclosed |