⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9723870 | 1.00 | — | — | |
| SCHEMBL899065 | 0.72 | — | — | |
| SCHEMBL726542 | 0.72 | — | — | |
| SCHEMBL27249 | 0.72 | — | — | |
| SCHEMBL3188709 | 0.72 | — | — | |
| SCHEMBL204773 | 0.72 | — | — | |
| SCHEMBL259025 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL11619049 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6767103 | 0.69 | — | — | |
| SCHEMBL6767102 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018060015-A1 | STAR-SHAPED STYRENE POLYMERS WITH ENHANCED GLASS TRANSITION TEMPERATURE | BASF SE (DE) | 2018-04-05 | — | — | WO | disclosed |
| US-5169958-A | Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent | BASF AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |