⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575991 | 0.71 | — | — | |
| SCHEMBL6050609 | 0.67 | — | — | |
| Water SCHEMBL27833719 | 0.64 | — | — | |
| SCHEMBL28100122 | 0.64 | — | — | |
| SCHEMBL28269840 | 0.62 | — | — | |
| SCHEMBL576173 | 0.58 | — | — | |
| SCHEMBL9849876 | 0.58 | — | — | |
| Propene SCHEMBL27811382 | 0.58 | — | — | |
| SCHEMBL28193782 | 0.58 | — | — | |
| Benzene SCHEMBL28051917 | 0.58 | ALDH1A1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10934324-B2 | Method for improving protein functionality using vortexing fluid shear forces | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-03-02 | — | — | US | disclosed |
| EP-2418723-A1 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | Mitsubishi Chemical Corporation (JP) | 2012-02-15 | — | — | EP | disclosed |