⚠ 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 | |
|---|---|---|---|---|
| Butyl Chloride SCHEMBL6691652 | 0.90 | TSHR (0.69) | — | |
| Ethylene Glycol SCHEMBL28157505 | 0.90 | TSHR (0.71) | — | |
| Butyl Chloride SCHEMBL28654870 | 0.90 | — | — | |
| Hexane SCHEMBL11862477 | 0.87 | SMN1; SMN2 (0.59) | — | |
| Butyl Chloride SCHEMBL6295995 | 0.86 | — | — | |
| Butyl Chloride SCHEMBL421 | 0.86 | — | — | |
| Butyl Chloride SCHEMBL3694160 | 0.86 | — | — | |
| Butyl Chloride SCHEMBL788825 | 0.86 | TSHR (1.00) | — | |
| Propanol SCHEMBL27411645 | 0.84 | TSHR (0.71) | — | |
| Butyl Chloride SCHEMBL9226917 | 0.83 | — | — |
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-4474915-A | Modified vinyl acetate adhesive compositions containing low temperature fusion aids | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1984-10-02 | — | — | US | disclosed |