⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6831158 | 0.71 | — | — | |
| SCHEMBL12838395 | 0.71 | — | — | |
| SCHEMBL7708771 | 0.67 | — | — | |
| SCHEMBL9153018 | 0.67 | — | — | |
| SCHEMBL14994705 | 0.60 | — | — | |
| SCHEMBL2183940 | 0.60 | — | — | |
| SCHEMBL2554446 | 0.58 | — | — | |
| Water SCHEMBL29008220 | 0.58 | TSHR (0.39) | — | |
| SCHEMBL16089 | 0.58 | — | — | |
| SCHEMBL9515654 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4880705-A | CONJUGATED DIENE POLYMERS HAVING SILOXY CYCLOBUTANONE GROUPS; COATINGS; ADHESION | MINNESOTA MINING & MANUFACTURING COMPANY (US) | 1989-11-14 | — | — | US | disclosed |
| US-4812214-A | CYLIZATION, MODIFICATION OF CONJUGATED DIENE POLYMERS, IMPROVED ADHESION | MINNESOTA MINING & MANUFACTURING COMPANY (US) | 1989-03-14 | — | — | US | disclosed |