⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL314498 | 0.93 | — | — | |
| SCHEMBL7612472 | 0.89 | — | — | |
| SCHEMBL23928939 | 0.83 | — | — | |
| SCHEMBL5404837 | 0.79 | — | — | |
| SCHEMBL5415618 | 0.76 | — | — | |
| SCHEMBL21403436 | 0.76 | — | — | |
| SCHEMBL331353 | 0.76 | — | — | |
| SCHEMBL5414801 | 0.76 | — | — | |
| Methylamine SCHEMBL28484189 | 0.76 | — | — | |
| SCHEMBL8837687 | 0.74 | — | — |
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-107636023-B | Modified conjugated diene polymer, method for producing same, rubber composition, and tire | 旭化成株式会社 | 2019-11-26 | — | — | CN | disclosed |