⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1494388 | 0.94 | — | — | |
| SCHEMBL29877766 | 0.89 | — | — | |
| SCHEMBL28301689 | 0.89 | — | — | |
| SCHEMBL28300349 | 0.89 | — | — | |
| SCHEMBL11655766 | 0.89 | — | — | |
| SCHEMBL14829789 | 0.89 | — | — | |
| SCHEMBL30335454 | 0.89 | — | — | |
| SCHEMBL5558278 | 0.89 | — | — | |
| SCHEMBL28322214 | 0.84 | — | — | |
| Ethane SCHEMBL12471262 | 0.84 | — | — |
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-118290760-A | Hexamethylenetetramine-MOF ferroelectric material and preparation method and application thereof | 新疆农业大学 | 2024-07-05 | — | — | CN | disclosed |