⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24287460 | 0.86 | EEF2K (0.32) | — | |
| SCHEMBL24287269 | 0.82 | ACHE (0.30) | — | |
| SCHEMBL24287494 | 0.80 | HTR1A (0.36) | — | |
| SCHEMBL29516148 | 0.80 | HTR1A (0.36) | — | |
| SCHEMBL24309830 | 0.75 | IGF1R (0.32) | — | |
| SCHEMBL24287263 | 0.74 | TP53 (0.40) | — | |
| SCHEMBL24309917 | 0.74 | MAPK14 (0.33) | — | |
| SCHEMBL24309901 | 0.74 | IGF1R (0.33) | — | |
| SCHEMBL24309648 | 0.74 | CDK1 (0.34) | — | |
| SCHEMBL24310179 | 0.74 | IGF1R (0.31) | — |
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-2022076629-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |