⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1124248 | 0.59 | — | — | |
| SCHEMBL4080848 | 0.55 | — | — | |
| SCHEMBL22983129 | 0.51 | — | — | |
| SCHEMBL21947377 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL23803973 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL28460031 | 0.38 | — | — | |
| Calcium Chloride SCHEMBL28534468 | 0.38 | — | — | |
| SCHEMBL11328025 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL28585382 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.34 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111153891-B | Substituted benzimidazole PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof | 贵州医科大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-107815087-B | Color-stable curing compositions of polyisocyanates containing (cyclo) aliphatic diisocyanates | 巴斯夫欧洲公司 | 2023-02-28 | — | — | CN | disclosed |
| CN-115427473-A | Color stable curing agent compositions comprising water dispersible polyisocyanates | 巴斯夫欧洲公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-111153891-A | Substituted benzimidazole PI3K α/mTOR double-target inhibitor and pharmaceutical composition and application thereof | 贵州医科大学 | 2020-05-15 | — | — | CN | disclosed |