⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22720619 | 1.00 | AKR1B1 (0.41) | — | |
| SCHEMBL37362 | 1.00 | — | — | |
| SCHEMBL1198324 | 1.00 | — | — | |
| SCHEMBL574324 | 1.00 | — | — | |
| SCHEMBL477499 | 1.00 | — | — | |
| SCHEMBL6272445 | 1.00 | AKR1B1 (0.41) | — | |
| SCHEMBL97624 | 1.00 | — | — | |
| SCHEMBL22720618 | 1.00 | AKR1B1 (0.41) | — | |
| SCHEMBL4436039 | 0.97 | AKR1B1 (0.39) | — | |
| Charcoal, Activated SCHEMBL6447300 | 0.97 | AKR1B1 (0.39) | — |
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-7858775-B2 | Production of 2′-deoxynucleosides and 2′-deoxynucleoside precursors from 2-dehydro-3-deoxy-D-gluconate | RHODIA CHIMIE (FR) | 2010-12-28 | — | — | US | disclosed |