⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9808403 | 0.85 | TSHR (0.36) | — | |
| SCHEMBL9131437 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL740669 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL31266934 | 0.74 | — | — | |
| SCHEMBL10756606 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL31266927 | 0.70 | FDPS (0.33) | — | |
| SCHEMBL11049364 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL12418599 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL10546144 | 0.65 | — | — | |
| SCHEMBL8473221 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5248746-A | Cationic polymerization, molecular weight control | NIPPON ZEON CO., LTD. (JP) | 1993-09-28 | — | — | US | disclosed |