⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8414446 | 0.84 | — | — | |
| SCHEMBL8417104 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL8520617 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL8416103 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL8417111 | 0.75 | RB1 (0.33) | — | |
| SCHEMBL4167168 | 0.65 | KDM1A (0.31) | — | |
| SCHEMBL8416798 | 0.61 | — | — | |
| SCHEMBL10580114 | 0.61 | — | — | |
| SCHEMBL1484278 | 0.61 | ALDH1A1 (0.49) | — | |
| SCHEMBL10580237 | 0.59 | — | — |
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 |