⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27652046 | 0.69 | CDA (0.41) | — | |
| SCHEMBL43231 | 0.63 | HPGD (0.36) | — | |
| SCHEMBL10866810 | 0.61 | HDAC3 (0.41) | — | |
| SCHEMBL8735537 | 0.61 | HPGD (0.37) | — | |
| SCHEMBL997541 | 0.60 | ITGB1 (0.39) | — | |
| SCHEMBL21146785 | 0.59 | MTNR1A (0.37) | — | |
| SCHEMBL20091594 | 0.59 | HPGD (0.33) | — | |
| SCHEMBL2760653 | 0.59 | RECQL (0.31) | — | |
| SCHEMBL23768440 | 0.58 | HPGD (0.30) | — | |
| SCHEMBL2172598 | 0.58 | ALDH1A1 (0.46) | — |
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-2315747-B1 | METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES | BRIGHAM & WOMENS HOSPITAL INC (US) | 2017-12-06 | — | — | EP | disclosed |