⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL712432 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL30147933 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL4264731 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL2512408 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL9784653 | 0.73 | TDP1 (0.44) | — | |
| SCHEMBL9784629 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL3393659 | 0.68 | — | — | |
| SCHEMBL31283026 | 0.67 | — | — | |
| SCHEMBL10478328 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL7354522 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2022789-A1 | Process for the preparation of a gastric acid secretion inhibitor | Farmaprojects, S.A. (ES) | 2009-02-11 | — | — | EP | disclosed |