⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11577832 | 0.97 | — | — | |
| SCHEMBL26969353 | 0.95 | — | — | |
| SCHEMBL27759435 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL5104671 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL7856623 | 0.77 | — | — | |
| SCHEMBL28338615 | 0.76 | — | — | |
| SCHEMBL28656730 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL22346521 | 0.75 | MGAM (0.35) | — | |
| SCHEMBL22983948 | 0.75 | TSHR (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL27561179 | 0.74 | ALDH1A1 (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101663336-B | Polymerizable monomer, polymerizable composition and dental material | KURARAY MEDICAL INC | 2012-10-10 | — | — | CN | disclosed |
| CN-101547930-B | Compound and composition containing same | KURARAY MEDICAL INC | 2012-09-19 | — | — | CN | disclosed |
| CN-101595138-B | Polymerizable monomer-containing composition | KURARAY MEDICAL INC JP | 2012-08-22 | — | — | CN | disclosed |
| CN-101595139-B | Polymerizable monomer-containing composition | KURARAY MEDICAL INC JP | 2012-08-22 | — | — | CN | disclosed |
| CN-101589070-B | composition and dental material | KURARAY MEDICAL INC. (JP) | 2011-12-14 | — | — | CN | disclosed |
| CN-101663336-A | Polymerizable monomer, polymerizable composition and dental material | KURARAY MEDICAL INC (JP) | 2010-03-03 | — | — | CN | disclosed |
| CN-101636420-A | Polymerizable monomer, polymerizable composition and dental material | KURARAY MEDICAL INC (JP) | 2010-01-27 | — | — | CN | disclosed |
| CN-101595139-A | Polymerizable monomer-containing composition | KURARAY MEDICAL INC (JP) | 2009-12-02 | — | — | CN | disclosed |
| CN-101595138-A | Polymerizable monomer-containing composition | KURARAY MEDICAL INC (JP) | 2009-12-02 | — | — | CN | disclosed |
| CN-101589070-A | Composition and dental material | KURARAY MEDICAL INC (JP) | 2009-11-25 | — | — | CN | disclosed |
| CN-101547930-A | Novel compound, composition containing same, and method for producing polymerizable amide | KURARAY MEDICAL INC (JP) | 2009-09-30 | — | — | CN | disclosed |