⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11095180 | 0.73 | — | — | |
| SCHEMBL25171905 | 0.69 | — | — | |
| SCHEMBL15076112 | 0.69 | — | — | |
| SCHEMBL13433232 | 0.65 | RIPK1 (0.31) | — | |
| SCHEMBL19967746 | 0.65 | — | — | |
| SCHEMBL20175822 | 0.65 | — | — | |
| SCHEMBL18647232 | 0.62 | — | — | |
| SCHEMBL17072156 | 0.62 | — | — | |
| SCHEMBL12741116 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL14617193 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3932545-A1 | HYDROGENATION CATALYST USED IN AMIDE COMPOUND HYDROGENATION AND METHOD FOR PRODUCING AMINE COMPOUND USING SAME | Osaka University (JP) | 2022-01-05 | — | — | EP | disclosed |