⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7073288 | 1.00 | — | — | |
| SCHEMBL4124521 | 0.85 | — | — | |
| SCHEMBL107995 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL107996 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL4124515 | 0.74 | — | — | |
| SCHEMBL4124519 | 0.74 | — | — | |
| SCHEMBL27639853 | 0.74 | — | — | |
| SCHEMBL6925501 | 0.73 | — | — | |
| SCHEMBL27694950 | 0.72 | — | — | |
| SCHEMBL9421396 | 0.71 | GALR3 (0.32) | — |
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-20010051672-A1 | Dental material based on cationically polymerizable monomers | DEGUSSA DENTAL GMBH & CO. KG (DE) | 2001-12-13 | — | — | US | disclosed |