⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24254695 | 0.88 | MEN1 (0.31) | — | |
| SCHEMBL24254816 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL24254706 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL24254641 | 0.84 | ALDH1A1 (0.38) | — | |
| SCHEMBL24254805 | 0.79 | SIGMAR1 (0.34) | — | |
| SCHEMBL24254693 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL24254686 | 0.77 | RXRA (0.33) | — | |
| SCHEMBL5149203 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL24254833 | 0.72 | KIF11 (0.32) | — | |
| SCHEMBL12853968 | 0.70 | ALDH1A1 (0.42) | — |
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 |