⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1010900 | 0.91 | GABRR1 (0.54) | — | |
| SCHEMBL14141002 | 0.84 | — | — | |
| SCHEMBL9851281 | 0.84 | — | — | |
| SCHEMBL7179523 | 0.84 | BLM (0.65) | — | |
| SCHEMBL16330413 | 0.84 | BLM (0.65) | — | |
| SCHEMBL17285499 | 0.84 | BLM (0.73) | — | |
| SCHEMBL233225 | 0.84 | BLM (0.73) | — | |
| SCHEMBL27505425 | 0.82 | ACE2 (0.66) | — | |
| SCHEMBL12647276 | 0.82 | GABRR1 (0.45) | — | |
| SCHEMBL5977939 | 0.81 | ACE2 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0427166-A1 | Ester compounds and liquid crystal compositions containing the same | JAPAN ENERGY CORPORATION (JP) | 1991-05-15 | — | — | EP | disclosed |