⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2705619 | 1.00 | — | — | |
| SCHEMBL1269879 | 0.84 | KMT2A (0.31) | — | |
| SCHEMBL1269881 | 0.84 | KMT2A (0.31) | — | |
| SCHEMBL1270461 | 0.81 | — | — | |
| SCHEMBL2864372 | 0.69 | TDP1 (0.39) | — | |
| SCHEMBL2864374 | 0.69 | TDP1 (0.39) | — | |
| SCHEMBL2857316 | 0.68 | — | — | |
| SCHEMBL2857319 | 0.68 | — | — | |
| SCHEMBL2866064 | 0.66 | LSS (0.33) | — | |
| SCHEMBL2866063 | 0.66 | LSS (0.33) | — |
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-2448891-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | Danisco US Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| WO-2010148256-A1 | FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES | DANISCO US INC. (US) | 2010-12-23 | — | — | WO | disclosed |