⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28410675 | 0.63 | — | — | |
| SCHEMBL9152286 | 0.57 | — | — | |
| SCHEMBL14011828 | 0.47 | — | — | |
| SCHEMBL4380569 | 0.44 | — | — | |
| SCHEMBL14655231 | 0.38 | — | — | |
| SCHEMBL24611685 | 0.38 | THRB (0.37) | — | |
| SCHEMBL1742597 | 0.38 | THRB (0.37) | — | |
| SCHEMBL10016804 | 0.38 | THRB (0.37) | — | |
| SCHEMBL10016800 | 0.38 | THRB (0.37) | — | |
| Propylene Oxide SCHEMBL3186422 | 0.35 | — | — |
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-4908407-A | Nylon-4,6 resin, epoxy compound, halogenated polystyrene derivative | TEIJIN LIMITED (JP) | 1990-03-13 | — | — | US | disclosed |