⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27513698 | 0.91 | — | — | |
| SCHEMBL28112105 | 0.91 | — | — | |
| SCHEMBL8468546 | 0.90 | — | — | |
| SCHEMBL7946679 | 0.88 | — | — | |
| Butadiene SCHEMBL28112103 | 0.85 | — | — | |
| SCHEMBL27497412 | 0.83 | MAOB (0.41) | — | |
| SCHEMBL28112107 | 0.83 | — | — | |
| SCHEMBL27473042 | 0.81 | LMNA (0.30) | — | |
| SCHEMBL29019520 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL8370740 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0891381-A1 | OLEFIN SOLUTION POLYMERIZATION | THE DOW CHEMICAL COMPANY (US) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036942-A1 | OLEFIN SOLUTION POLYMERIZATION | THE DOW CHEMICAL COMPANY (US) | 1997-10-09 | — | — | WO | disclosed |