⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19491796 | 1.00 | — | — | |
| SCHEMBL17151668 | 1.00 | — | — | |
| SCHEMBL17777234 | 1.00 | — | — | |
| SCHEMBL17777224 | 0.91 | PPP5C (0.33) | — | |
| SCHEMBL14823288 | 0.88 | GJB2 (0.31) | — | |
| SCHEMBL12246441 | 0.88 | GJB2 (0.31) | — | |
| SCHEMBL14823287 | 0.88 | GJB2 (0.31) | — | |
| SCHEMBL18938432 | 0.87 | GJB2 (0.30) | — | |
| SCHEMBL18938431 | 0.87 | GJB2 (0.30) | — | |
| SCHEMBL17148773 | 0.83 | BCHE (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9796745-B2 | E-selectin antagonist compounds, compositions, and methods of use | GLYCOMIMETICS, INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170296566-A9 | METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS | GLYCOMIMETICS, INC. (US) | 2017-10-19 | — | — | US | disclosed |
| US-20160243145-A1 | METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING MUCOSITIS | GLYCOMIMETICS, INC. (US) | 2016-08-25 | — | — | US | disclosed |
| US-20160145290-A1 | E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | GLYCOMIMETICS, INC. | 2016-05-26 | — | — | US | disclosed |