⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27554100 | 0.86 | — | — | |
| SCHEMBL27278629 | 0.82 | ADRB2 (0.35) | — | |
| SCHEMBL28306044 | 0.80 | CA1 (0.31) | — | |
| SCHEMBL27702868 | 0.79 | — | — | |
| SCHEMBL28242775 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL1347848 | 0.78 | THRB (0.35) | — | |
| SCHEMBL28864603 | 0.78 | THRB (0.35) | — | |
| SCHEMBL1923008 | 0.78 | THRB (0.35) | — | |
| SCHEMBL4810079 | 0.78 | ODC1 (0.33) | — | |
| SCHEMBL27748854 | 0.78 | THRB (0.35) | — |
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-109937307-A | Hydraulic actuator | 株式会社普利司通 | 2019-06-25 | — | — | CN | disclosed |
| CN-109715412-A | Pneumatic tire with low tear base compound for tire tread | 普利司通奔达可有限责任公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109157661-A | Method for coating hydrophobic molecular crystal with oxide silica under assistance of ligand | 南京工业大学 | 2019-01-08 | — | — | CN | disclosed |