⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8931302 | 0.75 | — | — | |
| SCHEMBL361101 | 0.74 | — | — | |
| SCHEMBL18638210 | 0.74 | — | — | |
| SCHEMBL24445296 | 0.74 | — | — | |
| Bromide SCHEMBL17180525 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8848464 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28456122 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL7595437 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL7593683 | 0.67 | TRPA1 (0.30) | — | |
| Ethylene Glycol SCHEMBL2364123 | 0.67 | — | — |
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-4219514-A1 | ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT | CANON KABUSHIKI KAISHA (JP) | 2023-08-02 | — | — | EP | disclosed |