⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL972164 | 1.00 | — | — | |
| SCHEMBL8013571 | 1.00 | — | — | |
| SCHEMBL29278922 | 0.86 | CA1 (0.36) | — | |
| SCHEMBL5868475 | 0.83 | CA1 (0.55) | — | |
| SCHEMBL12462561 | 0.79 | — | — | |
| SCHEMBL22617794 | 0.79 | — | — | |
| SCHEMBL20992576 | 0.79 | — | — | |
| SCHEMBL5868479 | 0.79 | CA1 (0.55) | — | |
| SCHEMBL2163356 | 0.79 | — | — | |
| SCHEMBL8237864 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019173293-A1 | AFFINITY PURIFICATION OF GLYCOSIDE-CLEAVING ENZYMES | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2019-09-12 | — | — | WO | disclosed |