⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24323797 | 0.92 | LDHA (0.32) | — | |
| SCHEMBL24298776 | 0.92 | — | — | |
| SCHEMBL24323721 | 0.91 | LDHA (0.36) | — | |
| SCHEMBL24298775 | 0.90 | LDHA (0.35) | — | |
| SCHEMBL24324172 | 0.90 | LDHA (0.35) | — | |
| SCHEMBL26573129 | 0.87 | — | — | |
| SCHEMBL26575699 | 0.87 | MEN1 (0.30) | — | |
| SCHEMBL24323694 | 0.86 | LDHA (0.31) | — | |
| SCHEMBL24324167 | 0.85 | — | — | |
| SCHEMBL24324613 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |