⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30986916 | 0.77 | NFKB1 (0.40) | — | |
| SCHEMBL30987012 | 0.75 | — | — | |
| SCHEMBL30986982 | 0.64 | — | — | |
| SCHEMBL30986972 | 0.64 | NFKB1 (0.31) | — | |
| SCHEMBL30986947 | 0.62 | NFKB1 (0.40) | — | |
| Ethylenediamine SCHEMBL23633140 | 0.59 | — | — | |
| Ethylenediamine SCHEMBL27545255 | 0.59 | NFKB1 (0.44) | — | |
| Propylamine SCHEMBL4958736 | 0.58 | — | — | |
| SCHEMBL30986933 | 0.55 | — | — | |
| Ethylamine SCHEMBL21929766 | 0.55 | — | — |
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-12051586-B2 | Method of manufacturing semiconductor device | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2024-07-30 | — | — | US | disclosed |