⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10860295 | 0.86 | CARM1 (0.39) | — | |
| SCHEMBL7713475 | 0.86 | ADH1B (0.37) | — | |
| SCHEMBL308930 | 0.82 | — | — | |
| SCHEMBL19806246 | 0.81 | EPHX1 (0.60) | — | |
| SCHEMBL24043077 | 0.80 | — | — | |
| SCHEMBL25833478 | 0.80 | — | — | |
| SCHEMBL3435 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL740345 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL22282996 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL3301146 | 0.74 | — | — |
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-2018068010-A1 | HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS | GLYCOMIMETICS, INC. (US) | 2018-04-12 | — | — | WO | disclosed |