⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL755883 | 0.81 | — | — | |
| SCHEMBL22905018 | 0.73 | — | — | |
| SCHEMBL7750053 | 0.70 | GPBAR1 (0.31) | — | |
| SCHEMBL26537560 | 0.70 | — | — | |
| SCHEMBL25484287 | 0.65 | — | — | |
| SCHEMBL19043993 | 0.65 | — | — | |
| SCHEMBL25897349 | 0.65 | — | — | |
| SCHEMBL25897347 | 0.65 | — | — | |
| SCHEMBL19122060 | 0.64 | — | — | |
| SCHEMBL16383066 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140148623-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2014-05-29 | — | — | US | disclosed |
| US-8450549-B2 | Fuel compositions comprising isoprene derivatives | DANISCO US INC. (US) | 2013-05-28 | — | — | US | disclosed |
| EP-2448891-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | Danisco US Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| US-20110046422-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. | 2011-02-24 | — | — | US | disclosed |
| WO-2010148256-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2010-12-23 | — | — | WO | disclosed |