⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL245936 | 0.76 | — | — | |
| SCHEMBL16542583 | 0.76 | — | — | |
| SCHEMBL10652797 | 0.74 | PTGS1 (0.38) | — | |
| SCHEMBL10319555 | 0.74 | — | — | |
| SCHEMBL241253 | 0.72 | MEN1 (0.40) | — | |
| SCHEMBL27098155 | 0.72 | ESR1 (0.34) | — | |
| SCHEMBL21422806 | 0.70 | NR1I2 (0.32) | — | |
| SCHEMBL25477152 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL29011342 | 0.69 | — | — | |
| SCHEMBL245243 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11916195-B2 | Electrolyte solution, electrochemical device, lithium ion secondary battery, and module | DAIKIN INDUSTRIES, LTD. (JP) | 2024-02-27 | — | — | US | disclosed |