⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5669318 | 0.84 | HDAC6 (0.42) | — | |
| SCHEMBL18712311 | 0.84 | HDAC6 (0.39) | — | |
| SCHEMBL17539678 | 0.82 | HDAC6 (0.39) | — | |
| SCHEMBL25779298 | 0.78 | MEN1 (0.38) | — | |
| SCHEMBL23929059 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL16329672 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL5666806 | 0.76 | HDAC1 (0.36) | — | |
| SCHEMBL2386786 | 0.76 | — | — | |
| SCHEMBL28034440 | 0.76 | — | — | |
| SCHEMBL3730617 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2854822-B1 | POLYSACCHARIDE COMPOSITIONS AND METHODS OF USE | BRIGHAM & WOMENS HOSPITAL INC (US) | 2020-07-22 | — | — | EP | disclosed |