⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5846242 | 0.84 | PTGS1 (0.33) | — | |
| SCHEMBL1305504 | 0.72 | — | — | |
| SCHEMBL1706676 | 0.71 | — | — | |
| SCHEMBL936174 | 0.69 | — | — | |
| SCHEMBL11884208 | 0.69 | — | — | |
| SCHEMBL6960032 | 0.69 | — | — | |
| SCHEMBL4446823 | 0.69 | GABBR2 (0.32) | — | |
| SCHEMBL7138699 | 0.69 | GABBR2 (0.32) | — | |
| SCHEMBL4612149 | 0.68 | GABRP (0.33) | — | |
| SCHEMBL6955213 | 0.68 | MMP8 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7012138-B1 | Chiral polysaccharide esters, one of the methods for preparing them and their uses for obtaining optically enriched acids or for chiral chromatography | UNIVERSITE DE DROIT D'ECONOMIE ET DES SCIENCES D'AIZ-MARSEILLE (FR) | 2006-03-14 | — | — | US | disclosed |