⚠ 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 SCHEMBL19990800 | 0.82 | — | — | |
| Butane SCHEMBL17460145 | 0.80 | TSHR (0.44) | — | |
| Butane SCHEMBL7258069 | 0.80 | — | — | |
| Butane SCHEMBL2140500 | 0.80 | TSHR (0.44) | — | |
| Butane SCHEMBL22813 | 0.80 | — | — | |
| Butane SCHEMBL4594497 | 0.80 | TSHR (0.44) | — | |
| Butane SCHEMBL8977745 | 0.80 | — | — | |
| Butane SCHEMBL1734106 | 0.79 | — | — | |
| Butane SCHEMBL8628663 | 0.79 | TSHR (0.50) | — | |
| Butane SCHEMBL3593 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101111267-B | Stabilized polymeric thiol reagents | NEKTAR THERAPEUTICS AL CORP | 2012-12-05 | — | — | CN | disclosed |
| CN-101111267-A | Stabilized polymeric thiol reagents | NEKTAR THERAPEUTICS AL CORP (US) | 2008-01-23 | — | — | CN | disclosed |