⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15355768 | 0.97 | — | — | |
| SCHEMBL264859 | 0.97 | — | — | |
| SCHEMBL15717118 | 0.97 | OR51E2 (0.53) | — | |
| SCHEMBL193026 | 0.97 | — | — | |
| SCHEMBL6963 | 0.97 | — | — | |
| SCHEMBL19434139 | 0.94 | — | — | |
| SCHEMBL11666742 | 0.94 | — | — | |
| Charcoal, Activated SCHEMBL10761497 | 0.94 | — | — | |
| Bicarbonate SCHEMBL21899730 | 0.94 | OR51E2 (0.50) | — | |
| SCHEMBL11524304 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2379618-A1 | PRODUCTION OF NON-WOVEN MATERIALS FROM POLYHYDROXYALKANOATE | Metalbolix Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010075530-A1 | PRODUCTION OF NON-WOVEN MATERIALS FROM POLYHYDROXYALKANOATE | METABOLIX, INC. (US) | 2010-07-01 | — | — | WO | disclosed |