⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL379574 | 0.83 | THRB (0.31) | — | |
| SCHEMBL379493 | 0.73 | SIGMAR1 (0.32) | — | |
| SCHEMBL380331 | 0.72 | SIGMAR1 (0.34) | — | |
| SCHEMBL130942 | 0.71 | — | — | |
| SCHEMBL15612532 | 0.69 | MEN1 (0.39) | — | |
| SCHEMBL379786 | 0.67 | — | — | |
| SCHEMBL379590 | 0.67 | THRB (0.32) | — | |
| SCHEMBL15612352 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL15611803 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL15612318 | 0.67 | MEN1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2407507-B1 | RUBBER COMPOSITION AND PNEUMATIC TIRE | JSR CORP (JP) | 2016-09-28 | — | — | EP | disclosed |
| EP-2407507-A1 | RUBBER COMPOSITION AND PNEUMATIC TIRE | JSR Corporation (JP) | 2012-01-18 | — | — | EP | disclosed |
| US-20110319519-A1 | RUBBER COMPOSITION AND PNEUMATIC TIRE | JSR CORPORATION (JP) | 2011-12-29 | — | — | US | disclosed |