⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16492352 | 0.85 | — | — | |
| SCHEMBL9949547 | 0.85 | — | — | |
| SCHEMBL9950226 | 0.84 | — | — | |
| SCHEMBL906345 | 0.77 | — | — | |
| SCHEMBL9949301 | 0.72 | — | — | |
| SCHEMBL9903947 | 0.70 | — | — | |
| SCHEMBL906757 | 0.70 | — | — | |
| SCHEMBL16492424 | 0.69 | CHRM2 (0.30) | — | |
| SCHEMBL6551154 | 0.69 | CHRNB2 (0.39) | — | |
| SCHEMBL16390237 | 0.67 | — | — |
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-20120165464-A1 | FUNCTIONALIZED POLYMERS AND VULCANIZATES WITH REDUCED HYSTERETIC LOSS | BRIDGESTONE CORPORATION (JP) | 2012-06-28 | — | — | US | claimed |
| US-8962745-B2 | Functionalized polymers and vulcanizates with reduced hysteretic loss | BRIDGESTONE CORPORATION (JP) | 2015-02-24 | — | — | US | disclosed |