⚠ 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 SCHEMBL10663155 | 0.80 | — | — | |
| Propane SCHEMBL10660365 | 0.80 | TSHR (0.46) | — | |
| Propane SCHEMBL10639899 | 0.77 | — | — | |
| SCHEMBL8358538 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL3426362 | 0.76 | — | — | |
| Propane SCHEMBL1021 | 0.76 | — | — | |
| Propane SCHEMBL286506 | 0.76 | — | — | |
| SCHEMBL1913 | 0.76 | — | — | |
| Propane SCHEMBL9248656 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL19926086 | 0.76 | TSHR (0.89) | — |
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-1053219-B1 | IMPROVED SEPARATION PROCESSES | UNION CARBIDE CHEM PLASTIC (US) | 2003-12-10 | — | — | EP | claimed |