⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9576775 | 0.80 | — | — | |
| SCHEMBL9576777 | 0.80 | — | — | |
| SCHEMBL28156840 | 0.75 | — | — | |
| SCHEMBL510187 | 0.75 | — | — | |
| SCHEMBL510188 | 0.75 | — | — | |
| SCHEMBL3222497 | 0.69 | — | — | |
| SCHEMBL3222504 | 0.69 | — | — | |
| SCHEMBL6129593 | 0.67 | — | — | |
| SCHEMBL17060972 | 0.67 | — | — | |
| SCHEMBL29156958 | 0.65 | — | — |
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-2756082-A1 | MICROORGANISMS AND METHODS FOR PRODUCING ALKENES | Genomatica, Inc. (US) | 2014-07-23 | — | — | EP | disclosed |
| WO-2013040383-A1 | MICROORGANISMS AND METHODS FOR PRODUCING ALKENES | GENOMATICA, INC. (US) | 2013-03-21 | — | — | WO | disclosed |