⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19847431 | 0.93 | THRB (0.34) | — | |
| SCHEMBL21555493 | 0.92 | THRB (0.32) | — | |
| SCHEMBL20094880 | 0.90 | THRB (0.37) | — | |
| SCHEMBL20094925 | 0.90 | TSHR (0.36) | — | |
| SCHEMBL20094882 | 0.89 | TSHR (0.37) | — | |
| SCHEMBL19847426 | 0.85 | THRB (0.33) | — | |
| SCHEMBL20094913 | 0.84 | THRB (0.37) | — | |
| SCHEMBL21657339 | 0.84 | — | — | |
| SCHEMBL24353614 | 0.83 | THRB (0.30) | — | |
| SCHEMBL20094889 | 0.81 | THRB (0.40) | — |
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-10470980-B2 | Dental polymerizable monomers, compositions, adhesive dental materials and kits | MITSUI CHEMICALS, INC. (JP) | 2019-11-12 | — | — | US | disclosed |
| US-20180110683-A1 | DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS | MITSUI CHEMICALS, INC. (JP) | 2018-04-26 | — | — | US | disclosed |