⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24254859 | 0.94 | PTGDR2 (0.31) | — | |
| SCHEMBL24254858 | 0.93 | PTGDR2 (0.31) | — | |
| SCHEMBL24254869 | 0.87 | — | — | |
| SCHEMBL24254761 | 0.84 | GLA (0.35) | — | |
| SCHEMBL25641654 | 0.82 | — | — | |
| SCHEMBL25641677 | 0.79 | GLA (0.31) | — | |
| SCHEMBL24254877 | 0.78 | — | — | |
| SCHEMBL25641625 | 0.73 | — | — | |
| SCHEMBL24254711 | 0.72 | DHFR (0.30) | — | |
| SCHEMBL24254867 | 0.71 | GLA (0.34) | — |
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-2022034907-A1 | METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN | 東ソー株式会社 | 2022-02-17 | — | — | WO | disclosed |