⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8968728 | 0.77 | — | — | |
| SCHEMBL13415445 | 0.77 | — | — | |
| SCHEMBL7993620 | 0.73 | — | — | |
| SCHEMBL7993856 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL10018500 | 0.55 | — | — | |
| SCHEMBL371927 | 0.55 | — | — | |
| SCHEMBL10018502 | 0.55 | — | — | |
| SCHEMBL9579716 | 0.55 | — | — | |
| Hydrazine SCHEMBL16767225 | 0.55 | — | — | |
| Methylamine SCHEMBL4749388 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0554728-B1 | Mixtures that are storage-stable at room temperature and their use as binders in coating compositions | BAYER AG (DE) | 1996-02-14 | — | — | EP | disclosed |
| US-5292807-A | Compositions of cyclic isourea component with carboxyl component | BAYER AKTIENGESELLSCHAFT (DE) | 1994-03-08 | — | — | US | disclosed |
| EP-0554728-A2 | Mixtures that are storage-stable at room temperature and their use as binders in coating compositions | BAYER AG (DE) | 1993-08-11 | — | — | EP | disclosed |
| US-3931214-A | 2-Amino-2-oxazolines and process for preparing them | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-01-06 | — | — | US | disclosed |