⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31268649 | 0.93 | — | — | |
| SCHEMBL2336751 | 0.93 | — | — | |
| Propane SCHEMBL9837149 | 0.68 | — | — | |
| Propane SCHEMBL2245238 | 0.68 | — | — | |
| SCHEMBL1177141 | 0.67 | — | — | |
| Butane SCHEMBL29036377 | 0.62 | TSHR (0.44) | — | |
| Butane SCHEMBL28385265 | 0.62 | TSHR (0.44) | — | |
| Propane SCHEMBL3410143 | 0.62 | — | — | |
| Propane SCHEMBL4349398 | 0.62 | — | — | |
| Butane SCHEMBL2876138 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8637694-B2 | Antimicrobial compounds | BASF SE (DE) | 2014-01-28 | — | — | US | disclosed |
| US-20110086816-A1 | Antimicrobial Compounds | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2011-04-14 | — | — | US | disclosed |
| EP-1599500-A1 | DISPERSING AGENTS IN NANOCOMPOSITES | Polymers Australia PTY Limited (AU) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004078785-A1 | DISPERSING AGENTS IN NANOCOMPOSITES | POLYMERS AUSTRALIA PTY. LIMITED (AU) | 2004-09-16 | — | — | WO | disclosed |