⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28113334 | 0.90 | TSHR (0.71) | — | |
| Butyl Chloride SCHEMBL11821096 | 0.90 | — | — | |
| Butyl Chloride SCHEMBL7740404 | 0.88 | TSHR (0.65) | — | |
| Hexane SCHEMBL28835345 | 0.87 | TSHR (0.56) | — | |
| SCHEMBL28162033 | 0.87 | TSHR (0.75) | — | |
| Butyl Chloride SCHEMBL421 | 0.86 | — | — | |
| Butyl Chloride SCHEMBL788825 | 0.86 | TSHR (1.00) | — | |
| Butyl Chloride SCHEMBL3694160 | 0.86 | — | — | |
| Butyl Chloride SCHEMBL11224083 | 0.84 | — | — | |
| Butyl Chloride SCHEMBL10884696 | 0.84 | — | — |
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-4243548-A | Pressurized aerosol formulation and process for the manufacture thereof | HANS SCHWARZKOPF GMBH (DE) | 1981-01-06 | — | — | US | claimed |