⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23701199 | 0.81 | — | — | |
| SCHEMBL28058550 | 0.76 | — | — | |
| SCHEMBL27923568 | 0.73 | — | — | |
| SCHEMBL28058483 | 0.70 | — | — | |
| SCHEMBL23701208 | 0.67 | ADRB2 (0.38) | — | |
| SCHEMBL459676 | 0.67 | — | — | |
| SCHEMBL459675 | 0.67 | — | — | |
| SCHEMBL31388356 | 0.66 | — | — | |
| SCHEMBL384517 | 0.65 | — | — | |
| SCHEMBL384518 | 0.65 | — | — |
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-105542267-A | Process of producing rubber composition | BRIDGESTONE CORP | 2016-05-04 | — | — | CN | disclosed |
| CN-103391967-B | Rubber composition, tire produced using the same, and method for producing rubber composition | BRIDGESTONE CO.,LTD. (JP) | 2016-04-13 | — | — | CN | disclosed |