⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23887960 | 0.95 | — | — | |
| SCHEMBL23086688 | 0.76 | DPP4 (0.36) | — | |
| SCHEMBL16704390 | 0.74 | — | — | |
| SCHEMBL6201919 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL11970566 | 0.74 | — | — | |
| SCHEMBL19601432 | 0.71 | — | — | |
| SCHEMBL21410685 | 0.70 | — | — | |
| SCHEMBL2290610 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL9294072 | 0.67 | — | — | |
| SCHEMBL1245675 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159502-A1 | INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED | 2023-05-25 | — | — | US | disclosed |
| CN-115916748-A | Indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) | 弗特克斯药品有限公司 | 2023-04-04 | — | — | CN | disclosed |
| EP-4132908-A1 | INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | Vertex Pharmaceuticals Incorporated (US) | 2023-02-15 | — | — | EP | disclosed |
| WO-2021203023-A1 | INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |