⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29619653 | 0.71 | — | — | |
| SCHEMBL893513 | 0.61 | — | — | |
| SCHEMBL6843129 | 0.50 | — | — | |
| SCHEMBL8271429 | 0.50 | — | — | |
| SCHEMBL10019296 | 0.50 | — | — | |
| SCHEMBL4546232 | 0.50 | — | — | |
| SCHEMBL10168121 | 0.50 | — | — | |
| SCHEMBL8216260 | 0.50 | — | — | |
| SCHEMBL595900 | 0.50 | — | — | |
| SCHEMBL7514217 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000072789-A | 2-POLYMETHYL-4-STANNYL-1,4-DIENE AND ITS PRODUCTION | AGENCY OF IND SCIENCE & TECHNOL | 2000-03-07 | — | — | JP | disclosed |