⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13550128 | 0.80 | — | — | |
| SCHEMBL27424106 | 0.79 | TDP1 (0.36) | — | |
| SCHEMBL13401170 | 0.78 | — | — | |
| SCHEMBL6246910 | 0.78 | — | — | |
| SCHEMBL6246912 | 0.78 | — | — | |
| SCHEMBL12852279 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL10597208 | 0.76 | — | — | |
| SCHEMBL6434741 | 0.74 | — | — | |
| SCHEMBL2384025 | 0.74 | — | — | |
| SCHEMBL27421383 | 0.72 | TSHR (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257513-A1 | METHOD FOR ISOMERIZING OLEFINICALLY UNSATURATED ALCOHOLS | BASF SE (DE) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009106622-A1 | METHOD FOR ISOMERIZING OLEFINICALLY UNSATURATED ALCOHOLS | BASF SE (DE) | 2009-09-03 | — | — | WO | disclosed |