⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7505 | 0.94 | — | — | |
| SCHEMBL27824054 | 0.89 | — | — | |
| SCHEMBL20559091 | 0.89 | — | — | |
| SCHEMBL28818745 | 0.89 | — | — | |
| SCHEMBL23849559 | 0.89 | — | — | |
| SCHEMBL23451513 | 0.89 | — | — | |
| SCHEMBL28067503 | 0.89 | — | — | |
| SCHEMBL28745199 | 0.80 | — | — | |
| Cyclopentane SCHEMBL28152779 | 0.80 | ALDH1A1 (0.33) | — | |
| Magnesium Chloride Anhydrous SCHEMBL29071793 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106414461-B | Borate-based generated base alkaline agent and alkali reactive composition containing the generated base alkaline agent | 富士胶片和光纯药株式会社 | 2018-09-11 | — | — | CN | disclosed |
| CN-106414461-A | BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR | 和光纯药工业株式会社 | 2017-02-15 | — | — | CN | disclosed |
| CN-101454332-A | 2'-fluoronucleoside phosphonates as antiviral agents | RFS PHARMA LLC (US) | 2009-06-10 | — | — | CN | disclosed |