⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13231078 | 0.77 | — | — | |
| SCHEMBL19333977 | 0.75 | — | — | |
| SCHEMBL6544587 | 0.73 | — | — | |
| SCHEMBL17236491 | 0.71 | — | — | |
| SCHEMBL12587640 | 0.71 | — | — | |
| SCHEMBL13176624 | 0.71 | — | — | |
| SCHEMBL21064371 | 0.69 | — | — | |
| SCHEMBL10880175 | 0.69 | — | — | |
| SCHEMBL10391331 | 0.69 | — | — | |
| SCHEMBL16944251 | 0.67 | — | — |
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-2017210604-A1 | COMPOSITIONS AND METHODS RELATING TO SALTS OF SPECIALIZED PRO-RESOLVING MEDIATORS OF INFLAMMATION | THETIS PHARMACEUTICALS LLC (US) | 2017-12-07 | — | — | WO | disclosed |