⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29249226 | 0.93 | EPHX1 (0.33) | — | |
| SCHEMBL28025349 | 0.85 | — | — | |
| SCHEMBL2801126 | 0.84 | — | — | |
| SCHEMBL28176420 | 0.83 | — | — | |
| SCHEMBL28273134 | 0.82 | — | — | |
| SCHEMBL28025398 | 0.77 | — | — | |
| SCHEMBL18186133 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL27566067 | 0.73 | OPRM1 (0.31) | — | |
| SCHEMBL28090254 | 0.72 | ACHE (0.31) | — | |
| SCHEMBL31473074 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105121544-A | Curable composition, and joint structure produced using same | SEKISUI FULLER CO LTD | 2015-12-02 | — | — | CN | disclosed |