⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29881712 | 0.89 | — | — | |
| SCHEMBL1525601 | 0.89 | — | — | |
| SCHEMBL22081972 | 0.89 | CYP1A2 (0.62) | — | |
| SCHEMBL109650 | 0.89 | CYP1A2 (0.62) | — | |
| Formaldehyde SCHEMBL8080395 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4314909 | 0.85 | — | — | |
| SCHEMBL7913483 | 0.85 | CYP1A2 (0.59) | — | |
| Water SCHEMBL2528680 | 0.85 | — | — | |
| Bromide SCHEMBL2085597 | 0.85 | — | — | |
| Benzene SCHEMBL19894402 | 0.85 | CYP1A2 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117363124-A | Coating liquid composition for display and organic coating film using the same | 株式会社特雷尔 | 2024-01-09 | — | — | CN | disclosed |