⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7232853 | 1.00 | — | — | |
| SCHEMBL11114517 | 0.82 | EPHX1 (0.36) | — | |
| SCHEMBL11116332 | 0.82 | GAA (0.41) | — | |
| SCHEMBL11114504 | 0.82 | EPHX1 (0.36) | — | |
| SCHEMBL11116298 | 0.82 | GAA (0.41) | — | |
| SCHEMBL16061377 | 0.79 | CTSK (0.40) | — | |
| SCHEMBL20159624 | 0.79 | CTSK (0.40) | — | |
| SCHEMBL21419029 | 0.79 | — | — | |
| SCHEMBL1416014 | 0.77 | — | — | |
| SCHEMBL7191918 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5700946-A | ONE STEP CATALYTIC DEHYDROGENATION PROCESS OF N-(1-ALKOXYALKYL) COMPOUND | NIPPON SHOKUBAI CO., LTD. (JP) | 1997-12-23 | — | — | US | disclosed |