⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL79832 | 0.59 | — | — | |
| SCHEMBL132811 | 0.59 | — | — | |
| SCHEMBL9207872 | 0.59 | — | — | |
| SCHEMBL453625 | 0.59 | — | — | |
| SCHEMBL992161 | 0.56 | — | — | |
| SCHEMBL9033297 | 0.56 | — | — | |
| SCHEMBL5563137 | 0.56 | — | — | |
| SCHEMBL2916110 | 0.56 | — | — | |
| SCHEMBL5673927 | 0.56 | — | — | |
| SCHEMBL20597277 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0772618-B1 | REGIOSELECTIVE SULFATION | GENZYME LTD (GB) | 2002-04-03 | — | — | EP | claimed |
| EP-2760875-A1 | SYNTHESIS OF HMO CORE STRUCTURES | Glycom A/S (DK) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013044928-A1 | SYNTHESIS OF HMO CORE STRUCTURES | GLYCOM A/S (DK) | 2013-04-04 | — | — | WO | disclosed |