⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2682415 | 0.85 | GAA (0.60) | — | |
| SCHEMBL16095729 | 0.83 | — | — | |
| SCHEMBL123093 | 0.82 | — | — | |
| SCHEMBL21924471 | 0.82 | ALDH1A1 (0.54) | — | |
| Ether SCHEMBL28452342 | 0.80 | GAA (0.55) | — | |
| SCHEMBL27893128 | 0.80 | GAA (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL28285408 | 0.80 | GAA (0.55) | — | |
| SCHEMBL11163358 | 0.80 | GAA (0.55) | — | |
| SCHEMBL16147050 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL6276687 | 0.79 | ALDH1A1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7172894-B2 | Reductase gene and use of the same | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2007-02-06 | — | — | US | disclosed |
| US-20040171119-A1 | Reductase gene and use of the same | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-09-02 | — | — | US | disclosed |
| EP-1452588-A1 | Reductase gene and use of the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-09-01 | — | — | EP | disclosed |