⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL20490082 | 0.61 | TSHR (0.50) | — | |
| Isobutane SCHEMBL11313074 | 0.61 | TSHR (0.50) | — | |
| Isobutane SCHEMBL30536981 | 0.61 | — | — | |
| Isobutane SCHEMBL1022735 | 0.61 | — | — | |
| Isobutane SCHEMBL768 | 0.61 | — | — | |
| Isobutane SCHEMBL2162423 | 0.61 | — | — | |
| SCHEMBL29372284 | 0.61 | — | — | |
| Isobutane SCHEMBL7754023 | 0.61 | TSHR (0.50) | — | |
| SCHEMBL23733955 | 0.58 | TSHR (0.33) | — | |
| SCHEMBL3793160 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118369206-A | Stain-proofing article | 大金工业株式会社 | 2024-07-19 | — | — | CN | disclosed |