⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27278461 | 0.80 | — | — | |
| SCHEMBL12972450 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL13609933 | 0.79 | — | — | |
| SCHEMBL20643406 | 0.79 | — | — | |
| SCHEMBL17921559 | 0.79 | — | — | |
| SCHEMBL24445251 | 0.79 | — | — | |
| SCHEMBL19168756 | 0.79 | — | — | |
| SCHEMBL8181574 | 0.76 | — | — | |
| SCHEMBL16556492 | 0.76 | — | — | |
| SCHEMBL24269491 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023101605-A2 | A POST-POLYMERIZATION OXIDATION METHOD | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2023-06-08 | — | — | WO | disclosed |
| US-20100041622-A1 | Compositions containing aminoalkanes and aminoalkane derivatives | VIRUN, INC. | 2010-02-18 | — | — | US | disclosed |
| WO-2010019255-A1 | COMPOSITIONS CONTAINING AMINOALKANES AND AMINOALKANE DERIVATIVES | VIRUN, INC. (US) | 2010-02-18 | — | — | WO | disclosed |