⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9939687 | 1.00 | — | — | |
| SCHEMBL2487764 | 1.00 | — | — | |
| SCHEMBL14053120 | 0.82 | — | — | |
| SCHEMBL4973846 | 0.79 | — | — | |
| SCHEMBL4973837 | 0.79 | — | — | |
| SCHEMBL1301420 | 0.79 | TRPA1 (0.53) | — | |
| SCHEMBL1301418 | 0.79 | TRPA1 (0.53) | — | |
| SCHEMBL3677705 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL19134431 | 0.73 | — | — | |
| SCHEMBL4954827 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3260532-A1 | GREEN PROCESS AND COMPOSITIONS FOR PRODUCING POLY(5HV) AND 5 CARBON CHEMICALS | CJ Research Center LLC (US) | 2017-12-27 | — | — | EP | disclosed |
| EP-2376622-B1 | GREEN PROCESS AND COMPOSITIONS FOR PRODUCING POLY(5HV) AND 5 CARBON CHEMICALS | CJ RES CENTER LLC (US) | 2017-06-07 | — | — | EP | disclosed |
| US-9090898-B2 | Green process and compositions for producing poly(5HV) and 5 carbon chemicals | METABOLIX, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| EP-2376622-A2 | GREEN PROCESS AND COMPOSITIONS FOR PRODUCING POLY(5HV) AND 5 CARBON CHEMICALS | Metalbolix Inc. (US) | 2011-10-19 | — | — | EP | disclosed |
| US-20100168481-A1 | GREEN PROCESS AND COMPOSITIONS FOR PRODUCING POLY(5HV) AND 5 CARBON CHEMICALS | METABOLIX,INC. | 2010-07-01 | — | — | US | disclosed |
| WO-2010068953-A2 | GREEN PROCESS AND COMPOSITIONS FOR PRODUCING POLY(5HV) AND 5 CARBON CHEMICALS | METABOLIX INC. (US) | 2010-06-17 | — | — | WO | disclosed |