⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10051846 | 0.92 | BACE1 (0.67) | — | |
| SCHEMBL337732 | 0.87 | BACE1 (0.73) | — | |
| Hydrogen Sulfide SCHEMBL8888923 | 0.83 | BACE1 (0.67) | — | |
| SCHEMBL18675344 | 0.82 | ABL1 (0.82) | — | |
| SCHEMBL17081084 | 0.79 | ABL1 (0.88) | — | |
| SCHEMBL2090372 | 0.77 | ABL1 (0.88) | — | |
| SCHEMBL218214 | 0.77 | EGFR (0.68) | — | |
| Acetic Acid SCHEMBL11595423 | 0.77 | EGFR (0.50) | — | |
| SCHEMBL27727262 | 0.77 | ALDH1A1 (0.67) | — | |
| SCHEMBL27976855 | 0.77 | EGFR (0.50) | — |
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-20040232813-A1 | Electronic display-use filter and electronic display unit using the filter | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-11-25 | — | — | US | disclosed |