⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6937278 | 0.78 | — | — | |
| SCHEMBL6940735 | 0.76 | SPHK2 (0.31) | — | |
| SCHEMBL14855613 | 0.75 | FFAR4 (0.36) | — | |
| SCHEMBL6936693 | 0.74 | — | — | |
| SCHEMBL25341709 | 0.73 | NAAA (0.34) | — | |
| Formic Acid Methyl Ester SCHEMBL28279596 | 0.73 | — | — | |
| SCHEMBL1396891 | 0.72 | — | — | |
| SCHEMBL17634010 | 0.71 | — | — | |
| SCHEMBL756557 | 0.71 | ARG1 (0.34) | — | |
| SCHEMBL22071783 | 0.71 | — | — |
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-2019026994-A1 | ADAMANTYLMETHYLAMINE DERIVATIVE AND USE THEREOF AS PHARMACEUTICAL | 国立大学法人東北大学 | 2019-02-07 | — | — | WO | disclosed |