⚠ 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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL11599088 | 0.96 | TSHR (0.67) | — | |
| SCHEMBL11599253 | 0.96 | TSHR (0.67) | — | |
| SCHEMBL11599249 | 0.96 | TSHR (0.67) | — | |
| Heptane SCHEMBL11601659 | 0.96 | TSHR (0.67) | — | |
| Decane SCHEMBL11600316 | 0.96 | TSHR (0.67) | — | |
| Hexadecane SCHEMBL11600154 | 0.96 | TSHR (0.67) | — | |
| Octane SCHEMBL11599303 | 0.96 | TSHR (0.67) | — | |
| Pentane SCHEMBL11600510 | 0.91 | — | — | |
| SCHEMBL11600080 | 0.83 | TSHR (0.81) | — | |
| SCHEMBL11599208 | 0.83 | TSHR (0.81) | — |
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-RE29523-E | Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds | BORG-WARNER CORPORATION (US) | 1978-01-24 | — | — | US | disclosed |