⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24325983 | 0.83 | — | — | |
| SCHEMBL27013023 | 0.83 | — | — | |
| SCHEMBL24326435 | 0.79 | — | — | |
| SCHEMBL27012968 | 0.76 | SMYD2 (0.31) | — | |
| SCHEMBL29060345 | 0.75 | — | — | |
| SCHEMBL24326000 | 0.74 | ABL1 (0.33) | — | |
| SCHEMBL27025245 | 0.73 | ACACB (0.31) | — | |
| SCHEMBL24325999 | 0.73 | ACACB (0.31) | — | |
| SCHEMBL27006677 | 0.72 | — | — | |
| SCHEMBL24325991 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018161-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2024-01-18 | — | — | US | disclosed |
| US-20240018161-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2024-01-18 | — | — | US | disclosed |
| CN-116670143-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-29 | — | — | CN | disclosed |
| EP-4225447-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |