⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22701037 | 0.80 | BCHE (0.34) | — | |
| SCHEMBL22701036 | 0.78 | BCHE (0.36) | — | |
| SCHEMBL22701035 | 0.78 | BCHE (0.36) | — | |
| SCHEMBL22700985 | 0.78 | BCHE (0.36) | — | |
| SCHEMBL22700983 | 0.78 | BCHE (0.36) | — | |
| SCHEMBL22367631 | 0.78 | DRD3 (0.33) | — | |
| SCHEMBL20873622 | 0.74 | HRH3 (0.30) | — | |
| SCHEMBL13179851 | 0.65 | CRBN (0.40) | — | |
| SCHEMBL17599196 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL4344570 | 0.64 | TP53 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170007505-A1 | DENTAL MATERIALS BASED ON LOW-ODOUR THIOLS | IVOCLAR VIVADENT AG (LI) | 2017-01-12 | — | — | US | disclosed |
| US-20170007505-A1 | DENTAL MATERIALS BASED ON LOW-ODOUR THIOLS | IVOCLAR VIVADENT AG (LI) | 2017-01-12 | — | — | US | disclosed |