⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL28328145 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL2077526 | 0.80 | — | — | |
| Ether SCHEMBL8889497 | 0.69 | — | — | |
| Ether SCHEMBL28328552 | 0.69 | — | — | |
| Ether SCHEMBL142519 | 0.69 | — | — | |
| SCHEMBL7628947 | 0.67 | — | — | |
| SCHEMBL4323583 | 0.67 | — | — | |
| Ether SCHEMBL735420 | 0.65 | — | — | |
| SCHEMBL691134 | 0.65 | — | — | |
| Ether SCHEMBL10688828 | 0.65 | ALDH1A1 (0.41) | — |
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-2021043123-A1 | MICROCAPSULE WITH MULTIPLE TIMES OF SELF-REPAIRING AT ROOM TEMPERATURE, PREPARATION METHOD, AND APPLICATION | 厦门大学 | 2021-03-11 | — | — | WO | disclosed |