⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22132886 | 0.77 | — | — | |
| SCHEMBL11144590 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL11144594 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL29040689 | 0.75 | — | — | |
| SCHEMBL26455287 | 0.75 | GRIK1 (0.30) | — | |
| SCHEMBL28985937 | 0.74 | — | — | |
| SCHEMBL30006426 | 0.74 | TDP1 (0.39) | — | |
| SCHEMBL18924888 | 0.74 | — | — | |
| SCHEMBL21986677 | 0.73 | GRIK1 (0.41) | — | |
| SCHEMBL6473183 | 0.72 | — | — |
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-1587777-B1 | METHOD OF OBTAINING AN ISOPRENE-ENRICHED FCC C5 FRACTION AND SELECTIVE POLYMERISATION OF ISOPRENE FROM SAID FRACTION | MICHELIN SOC TECH (FR) | 2008-03-19 | — | — | EP | claimed |