⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5085879 | 0.79 | — | — | |
| SCHEMBL5088392 | 0.76 | — | — | |
| SCHEMBL5088463 | 0.72 | — | — | |
| SCHEMBL5088389 | 0.69 | — | — | |
| SCHEMBL3675381 | 0.69 | — | — | |
| SCHEMBL5084626 | 0.62 | — | — | |
| SCHEMBL3670136 | 0.60 | — | — | |
| SCHEMBL27817380 | 0.60 | — | — | |
| SCHEMBL27670891 | 0.59 | — | — | |
| SCHEMBL341543 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118900884-A | Rubber composition for heavy-duty tire | 瑞住合成橡胶株式会社 | 2024-11-05 | — | — | CN | disclosed |
| CN-116194306-A | Rubber composition for heavy-duty tire | 瑞住合成橡胶株式会社 | 2023-05-30 | — | — | CN | disclosed |