⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5950720 | 0.82 | — | — | |
| SCHEMBL5950718 | 0.82 | — | — | |
| SCHEMBL28147584 | 0.79 | — | — | |
| SCHEMBL13772114 | 0.78 | — | — | |
| SCHEMBL942047 | 0.78 | — | — | |
| SCHEMBL28257446 | 0.76 | ALDH1A1 (0.30) | — | |
| Formaldehyde SCHEMBL5954254 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL2671874 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28166007 | 0.75 | — | — | |
| SCHEMBL2832980 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220056488-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | GENOMATICA INC (US) | 2022-02-24 | — | — | US | disclosed |
| US-10793882-B2 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | GENOMATICA, INC. (US) | 2020-10-06 | — | — | US | disclosed |
| EP-3312284-A2 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | Genomatica, Inc. (US) | 2018-04-25 | — | — | EP | disclosed |
| US-20170335352-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | AGAIN BIO APS (DK) | 2017-11-23 | — | — | US | disclosed |
| EP-2607340-B1 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | GENOMATICA INC (US) | 2017-09-06 | — | — | EP | disclosed |
| US-8715957-B2 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | GENOMATICA, INC. (US) | 2014-05-06 | — | — | US | disclosed |
| EP-2607340-A1 | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | Genomatica, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012018624-A2 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | GENOMATICA, INC. (US) | 2012-02-09 | — | — | WO | disclosed |
| US-20120021478-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | AGAIN BIO APS (DK) | 2012-01-26 | — | — | US | disclosed |