⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8587782 | 1.00 | — | — | |
| SCHEMBL8591214 | 0.82 | — | — | |
| SCHEMBL8591217 | 0.82 | — | — | |
| SCHEMBL22418976 | 0.81 | — | — | |
| SCHEMBL8586284 | 0.75 | — | — | |
| Hexane SCHEMBL20604205 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL3957751 | 0.68 | — | — | |
| SCHEMBL29020653 | 0.65 | — | — | |
| SCHEMBL8035959 | 0.61 | — | — | |
| SCHEMBL7942416 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998052953-A1 | CYCLOOCTATETRAENE COMPOUND | DSM N.V. (NL) | 1998-11-26 | — | — | WO | disclosed |
| WO-1998052977-A1 | PROCESS FOR THE POLYMERIZATION OF α-OLEFINS | DSM N.V. (NL) | 1998-11-26 | — | — | WO | disclosed |