⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27572196 | 1.00 | — | — | |
| SCHEMBL14092582 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL30777605 | 0.73 | — | — | |
| SCHEMBL4941874 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL14028803 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL7641044 | 0.71 | AKR1B1 (0.32) | — | |
| SCHEMBL31544648 | 0.70 | TDP1 (0.33) | — | |
| SCHEMBL31544649 | 0.70 | TRPA1 (0.34) | — | |
| SCHEMBL13212528 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL703096 | 0.69 | — | — |
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-20040086514-A1 | Novel helicobacter pylori-binding substances and use thereof | A+ SCIENCE INVEST AB (SE) | 2004-05-06 | — | — | US | disclosed |