⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2556475 | 0.90 | — | — | |
| SCHEMBL7423636 | 0.90 | — | — | |
| SCHEMBL93299 | 0.90 | — | — | |
| SCHEMBL18652809 | 0.86 | — | — | |
| Ethylene SCHEMBL10802720 | 0.84 | — | — | |
| Propylene Oxide SCHEMBL10792620 | 0.79 | — | — | |
| SCHEMBL8347293 | 0.71 | — | — | |
| Oxirane SCHEMBL397671 | 0.69 | — | — | |
| Oxirane SCHEMBL2543131 | 0.69 | — | — | |
| Oxirane SCHEMBL27966210 | 0.69 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4594396-A | In presence of an aliphatic thiourea, inorganic base, and a thiuram sulfide | HERCULES INCORPORATED (US) | 1986-06-10 | — | — | US | claimed |
| EP-0247888-A1 | Cross-linking halogen-containing polymers | HERCULES INCORPORATED (US) | 1987-12-02 | — | — | EP | disclosed |
| EP-0184212-A2 | Process for cross-linking halogenated polymers | HERCULES INCORPORATED (US) | 1986-06-11 | — | — | EP | disclosed |
| US-4594396-A | In presence of an aliphatic thiourea, inorganic base, and a thiuram sulfide | HERCULES INCORPORATED (US) | 1986-06-10 | — | — | US | disclosed |