⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1558938 | 1.00 | — | — | |
| SCHEMBL1550965 | 0.90 | — | — | |
| SCHEMBL747639 | 0.90 | — | — | |
| SCHEMBL19329612 | 0.75 | — | — | |
| SCHEMBL2214264 | 0.74 | SLC6A1 (0.33) | — | |
| SCHEMBL19460394 | 0.74 | SLC6A1 (0.33) | — | |
| SCHEMBL93532 | 0.66 | GABRP (0.31) | — | |
| SCHEMBL844981 | 0.66 | GABRP (0.31) | — | |
| SCHEMBL17817926 | 0.65 | L3MBTL1 (0.43) | — | |
| SCHEMBL17817921 | 0.65 | L3MBTL1 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3383395-A1 | COMPATIBLE SOLUTE OR SOLUTE MIXTURE FOR USE IN THE PREVENTION OR TREATMENT OF DISEASES HAVING BARRIER DEFECTS IN EPITHELIAL TISSUES | Bitop AG (DE) | 2018-10-10 | — | — | EP | disclosed |
| EP-3197447-A1 | SOLUTE AND SOLUTE MIXTURE, AND A COMPOSITION CONTAINING AT LEAST ONE SOLUTE, FOR USE IN THE PREVENTION OR TREATMENT OF COSMETIC OR PATHOLOGICAL EFFLORESCENCES CAUSED BY PARTICULATE MATTER | Bitop AG (DE) | 2017-08-02 | — | — | EP | disclosed |
| WO-2017093463-A1 | COMPATIBLE SOLUTE OR SOLUTE MIXTURE FOR USE IN THE PREVENTION OR TREATMENT OF DISEASES HAVING BARRIER DEFECTS IN EPITHELIAL TISSUES | BITOP AG (DE) | 2017-06-08 | — | — | WO | disclosed |
| WO-2016045714-A1 | SOLUTE AND SOLUTE MIXTURE, AND A COMPOSITION CONTAINING AT LEAST ONE SOLUTE, FOR USE IN THE PREVENTION OR TREATMENT OF COSMETIC OR PATHOLOGICAL EFFLORESCENCES CAUSED BY PARTICULATE MATTER | BITOP AG (DE) | 2016-03-31 | — | — | WO | disclosed |