⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17035769 | 1.00 | — | — | |
| SCHEMBL165056 | 1.00 | — | — | |
| SCHEMBL17035742 | 1.00 | — | — | |
| SCHEMBL14038652 | 1.00 | — | — | |
| SCHEMBL12928861 | 1.00 | — | — | |
| SCHEMBL23467851 | 1.00 | — | — | |
| SCHEMBL17035730 | 1.00 | — | — | |
| SCHEMBL21982063 | 1.00 | — | — | |
| SCHEMBL21776329 | 1.00 | — | — | |
| SCHEMBL13314994 | 1.00 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017030684-A1 | DEHYDRATIVE CYCLIZATION OF PENTITOLS USING WATER-TOLERANT LEWIS ACID CATALYSTS UNDER MILD CONDITIONS AND DERIVATIVES | ARCHER DANIELS MIDLAND COMPANY (US) | 2017-02-23 | — | — | WO | disclosed |
| EP-2080779-B1 | POLYMERIC DERIVATIVE OF NUCLEIC ACID METABOLIC ANTAGONIST | NIPPON KAYAKU KK (JP) | 2016-05-18 | — | — | EP | disclosed |
| US-20150238597-A1 | CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2015-08-27 | — | — | US | disclosed |