⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7720526 | 1.00 | — | — | |
| SCHEMBL2199914 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL2199919 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL14414248 | 0.80 | PTGS1 (0.38) | — | |
| SCHEMBL18469390 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL18389130 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL158024 | 0.79 | — | — | |
| SCHEMBL183973 | 0.79 | — | — | |
| SCHEMBL195936 | 0.77 | — | — | |
| SCHEMBL195938 | 0.77 | — | — |
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-6384270-B1 | ACETYLATION OF ETHYNYL-RETRO-.ALPHA.-IONOL, ISOMERIZATION OF THE ACETATE TO ALLENE ACETATE AND HYDROLYZING IT TO AN ALDEHYDE | AVENTIS ANIMAL NUTRITION, S.A. (FR) | 2002-05-07 | — | — | US | disclosed |