⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL369814 | 0.78 | — | — | |
| SCHEMBL113474 | 0.78 | — | — | |
| SCHEMBL148929 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL993048 | 0.78 | — | — | |
| SCHEMBL1223073 | 0.78 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL11313405 | 0.75 | ALDH1A1 (0.36) | — | |
| Water SCHEMBL142594 | 0.75 | — | — | |
| Water SCHEMBL1506765 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL20870748 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL718321 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087977-B1 | THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | EP | disclosed |