⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25475910 | 0.98 | — | — | |
| SCHEMBL11026095 | 0.79 | LMNA (0.30) | — | |
| SCHEMBL24663765 | 0.78 | CA12 (0.55) | — | |
| SCHEMBL8992578 | 0.77 | CYP2D6 (0.33) | — | |
| SCHEMBL8076642 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL16085162 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL21786640 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL9453397 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL8992536 | 0.72 | — | — | |
| SCHEMBL1810588 | 0.70 | CYP2D6 (0.32) | — |
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-2023028652-A1 | THERMALLY CONDUCTIVE HYDROGELS FOR ACIDIC GAS CAPTURE | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2023-03-09 | — | — | WO | disclosed |