⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL3889739 | 0.90 | — | — | |
| Butane SCHEMBL9455471 | 0.80 | — | — | |
| Isobutane SCHEMBL8679752 | 0.78 | TSHR (0.39) | — | |
| Isobutane SCHEMBL252681 | 0.78 | — | — | |
| SCHEMBL25296 | 0.78 | — | — | |
| Butane SCHEMBL23451487 | 0.74 | TSHR (0.56) | — | |
| Isobutane SCHEMBL1681731 | 0.74 | TSHR (0.36) | — | |
| Propane SCHEMBL27538935 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL16394828 | 0.72 | — | — | |
| Butane SCHEMBL27272295 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0954554-B1 | COMPOSITIONS INCLUDING A HYDROFLUOROPROPANE | DU PONT (US) | 2003-08-20 | — | — | EP | disclosed |