⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169598 | 0.94 | — | — | |
| SCHEMBL9921686 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL3999046 | 0.88 | — | — | |
| SCHEMBL20040532 | 0.80 | — | — | |
| SCHEMBL22791553 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL5504327 | 0.77 | POLB (0.31) | — | |
| SCHEMBL20825389 | 0.77 | — | — | |
| SCHEMBL26987660 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL27132564 | 0.75 | CYP1A2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL30722389 | 0.74 | CYP1A2 (0.30) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250340574-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2025-11-06 | — | — | US | disclosed |
| EP-4504739-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2025-02-12 | — | — | EP | disclosed |
| WO-2024054624-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2024-03-14 | — | — | WO | disclosed |
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| US-20200361939-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED. | 2020-11-19 | — | — | US | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-7704996-B2 | Compounds and compositions useful as cathepsin S inhibitors | NOVARTIS AG (CH) | 2010-04-27 | — | — | US | disclosed |
| CN-101671310-A | Compounds and compositions useful as cathepsin s inhibitors | NOVARTIS AG | 2010-03-17 | — | — | CN | disclosed |
| US-20090048230-A1 | COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS | NOVARTIS AG (CH) | 2009-02-19 | — | — | US | disclosed |
| CN-101035768-A | Compounds and compositions as cathepsin S inhibitors | NOVARTIS AG (CH) | 2007-09-12 | — | — | CN | disclosed |
| EP-1781623-A1 | COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS | Novartis AG (CH) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018284-A1 | COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS | NOVARTIS AG (CH) | 2006-02-23 | — | — | WO | disclosed |