⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL244290 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL44693 | 0.78 | — | — | |
| SCHEMBL27389434 | 0.78 | — | — | |
| SCHEMBL28424740 | 0.77 | — | — | |
| SCHEMBL28066529 | 0.77 | HSD17B10 (0.42) | — | |
| SCHEMBL1950793 | 0.76 | — | — | |
| SCHEMBL15476392 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL15690510 | 0.76 | — | — | |
| SCHEMBL1044324 | 0.76 | — | — | |
| SCHEMBL3984684 | 0.76 | — | — |
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-20110223365-A1 | KETAL ESTER DERIVATIVES | SEGETIS, INC. (US) | 2011-09-15 | — | — | US | claimed |