⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1137844 | 0.75 | — | — | |
| SCHEMBL28537855 | 0.73 | — | — | |
| SCHEMBL1470653 | 0.73 | — | — | |
| SCHEMBL1756558 | 0.73 | — | — | |
| SCHEMBL135560 | 0.72 | — | — | |
| SCHEMBL9976193 | 0.72 | — | — | |
| SCHEMBL1459065 | 0.71 | — | — | |
| SCHEMBL7193132 | 0.71 | — | — | |
| SCHEMBL2938000 | 0.68 | — | — | |
| SCHEMBL1228468 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105026440-A | Modified conjugated diene polymer, method for producing same, polymer composition, crosslinked polymer, and tire | JSR CORP | 2015-11-04 | — | — | CN | disclosed |