⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22844427 | 1.00 | — | — | |
| SCHEMBL1782929 | 1.00 | — | — | |
| SCHEMBL25546984 | 1.00 | — | — | |
| SCHEMBL17002117 | 0.85 | AAK1 (0.39) | — | |
| SCHEMBL22845073 | 0.85 | AAK1 (0.39) | — | |
| SCHEMBL17002125 | 0.85 | AAK1 (0.39) | — | |
| SCHEMBL15478532 | 0.85 | AAK1 (0.39) | — | |
| SCHEMBL11419643 | 0.85 | AAK1 (0.39) | — | |
| SCHEMBL17266798 | 0.85 | AAK1 (0.39) | — | |
| SCHEMBL1227390 | 0.85 | AAK1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023220131-A2 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-11-16 | — | — | WO | 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 |
| US-20070191406-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | US | disclosed |