⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4748796 | 1.00 | — | — | |
| SCHEMBL29429 | 1.00 | — | — | |
| Succinic Acid SCHEMBL25391902 | 0.97 | TET2 (0.48) | — | |
| SCHEMBL20610500 | 0.88 | TET2 (0.44) | — | |
| SCHEMBL23706334 | 0.87 | FFAR4 (0.63) | — | |
| Octanoic Acid SCHEMBL31573927 | 0.85 | FFAR4 (0.72) | — | |
| SCHEMBL380075 | 0.85 | FFAR4 (0.61) | — | |
| SCHEMBL3692107 | 0.84 | FFAR4 (0.59) | — | |
| SCHEMBL380978 | 0.83 | FFAR4 (0.70) | — | |
| SCHEMBL10614825 | 0.83 | TET2 (0.60) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090203096-A1 | Process for Production of Optically Active Alcohol | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2009-08-13 | — | — | US | disclosed |
| US-20040248250-A1 | Method for modifying enzyme and oxidoreductive variant | KANEKA CORPORATION (JP) | 2004-12-09 | — | — | US | disclosed |
| WO-2003051862-A1 | PROCESS FOR THE PREPARATION OF PYRANONE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-06-26 | — | — | WO | disclosed |