⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27900339 | 0.79 | EGLN1 (0.37) | — | |
| SCHEMBL3514679 | 0.78 | — | — | |
| SCHEMBL2589273 | 0.72 | MGAM (0.46) | — | |
| SCHEMBL2593246 | 0.71 | GAA (0.58) | — | |
| SCHEMBL28257446 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL18975259 | 0.69 | GPR84 (0.43) | — | |
| SCHEMBL801620 | 0.69 | MGAM (0.36) | — | |
| SCHEMBL2592387 | 0.69 | TSHR (0.52) | — | |
| SCHEMBL3535214 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL7260519 | 0.66 | CES2 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106047782-A | Microorganisms and methods for the biosynthesis of butadiene | 基因组股份公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-103459602-B | Microorganisms and methods for butadiene biosynthesis | 基因组股份公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-103459602-A | Microorganisms and methods for butadiene biosynthesis | GENOMATICA INC | 2013-12-18 | — | — | CN | disclosed |
| CN-103080324-A | Microorganisms and methods for butadiene biosynthesis | GENOMATICA INC | 2013-05-01 | — | — | CN | disclosed |