⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5247198 | 0.87 | GNAI3 (0.47) | — | |
| SCHEMBL6904593 | 0.83 | GNAI3 (0.35) | — | |
| SCHEMBL5247756 | 0.81 | — | — | |
| SCHEMBL1678882 | 0.80 | — | — | |
| SCHEMBL5909386 | 0.80 | GNAI3 (0.45) | — | |
| Hydrochloric Acid SCHEMBL27577505 | 0.79 | GNAI3 (0.42) | — | |
| SCHEMBL5250821 | 0.78 | GNAI3 (0.43) | — | |
| Hydrochloric Acid SCHEMBL6818147 | 0.78 | — | — | |
| SCHEMBL5248810 | 0.77 | GNAI3 (0.50) | — | |
| SCHEMBL193153 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0939760-A2 | 1-THIOGALACTOSE DERIVATIVES | SYNSORB Biotech Inc. (CA) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998021221-A2 | 1-THIOGALACTOSE DERIVATIVES | SYNSORB BIOTECH, INC. (CA) | 1998-05-22 | — | — | WO | disclosed |