⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17889227 | 0.80 | — | — | |
| SCHEMBL1459065 | 0.76 | — | — | |
| SCHEMBL1247370 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL1470690 | 0.72 | — | — | |
| SCHEMBL22607611 | 0.71 | — | — | |
| SCHEMBL27686871 | 0.70 | — | — | |
| SCHEMBL27967766 | 0.67 | — | — | |
| SCHEMBL134646 | 0.67 | — | — | |
| Methylamine SCHEMBL2763445 | 0.67 | — | — | |
| SCHEMBL19810880 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3351569-B1 | METHOD FOR PRODUCING MODIFIED SOLUTION-POLYMERIZED DIENE RUBBER TO BE BLENDED WITH SILICA, AND RUBBER COMPOSITION CONTAINING SAME | ETIC INC (JP) | 2020-11-04 | — | — | EP | disclosed |