⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9176517 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL5606283 | 0.75 | GAA (0.41) | — | |
| SCHEMBL1270028 | 0.75 | — | — | |
| SCHEMBL4816898 | 0.71 | — | — | |
| SCHEMBL8279446 | 0.71 | — | — | |
| SCHEMBL8650247 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL8565712 | 0.70 | GAA (0.37) | — | |
| SCHEMBL21847351 | 0.70 | GAA (0.37) | — | |
| SCHEMBL11372749 | 0.70 | GAA (0.37) | — | |
| Acetic Acid SCHEMBL8521538 | 0.69 | FFAR3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10611983-B2 | Microencapsulation of chemical additives | THE GEORGE WASHINGTON UNIVERSITY (US) | 2020-04-07 | — | — | US | disclosed |
| US-20170073610-A1 | MICROENCAPSULATION OF CHEMICAL ADDITIVES | THE GEORGE WASHINGTON UNIVERSITY | 2017-03-16 | — | — | US | disclosed |