⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5663918 | 0.94 | — | — | |
| SCHEMBL31311156 | 0.92 | — | — | |
| SCHEMBL12825002 | 0.79 | — | — | |
| SCHEMBL19451124 | 0.78 | — | — | |
| SCHEMBL5509634 | 0.76 | DPP4 (0.33) | — | |
| SCHEMBL9910724 | 0.76 | — | — | |
| SCHEMBL23516831 | 0.75 | GRIN2D (0.33) | — | |
| SCHEMBL14899025 | 0.74 | — | — | |
| SCHEMBL19286591 | 0.74 | — | — | |
| SCHEMBL8251102 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230286933-A1 | 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SOUTHERN RES INST (US) | 2023-09-14 | — | — | US | disclosed |
| US-20230159580-A1 | PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED | 2023-05-25 | — | — | US | disclosed |