⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23317228 | 0.89 | OGA (0.40) | — | |
| SCHEMBL23304805 | 0.81 | OGA (0.40) | — | |
| SCHEMBL23317511 | 0.81 | CHRNB2 (0.34) | — | |
| SCHEMBL23317324 | 0.76 | AVPR1A (0.34) | — | |
| SCHEMBL23317310 | 0.76 | AVPR1A (0.33) | — | |
| SCHEMBL23317207 | 0.75 | AVPR1A (0.31) | — | |
| SCHEMBL29914303 | 0.72 | CCR1 (0.49) | — | |
| SCHEMBL29914321 | 0.71 | OGA (0.42) | — | |
| SCHEMBL29914288 | 0.71 | OGA (0.41) | — | |
| SCHEMBL23317197 | 0.71 | SIGMAR1 (0.44) | — |
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-2021086966-A1 | SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS | BIOGEN MA INC. (US) | 2021-05-06 | — | — | WO | disclosed |