⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL238621 | 0.88 | — | — | |
| SCHEMBL24101127 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL22030300 | 0.82 | — | — | |
| SCHEMBL20530494 | 0.82 | — | — | |
| SCHEMBL9216830 | 0.82 | — | — | |
| SCHEMBL14890874 | 0.82 | — | — | |
| SCHEMBL20530459 | 0.82 | — | — | |
| SCHEMBL20852424 | 0.82 | — | — | |
| SCHEMBL20530474 | 0.82 | — | — | |
| SCHEMBL10087477 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3017051-B1 | METHOD FOR THE ENZYMATIC PRODUCTION OF 3-BUTEN-2-ONE | SCIENTIST OF FORTUNE SA (LU) | 2021-06-30 | — | — | EP | disclosed |
| US-9850504-B2 | Method for the enzymatic production of 3-buten-2-one | Scientist of Fortune, S.A. (LU) | 2017-12-26 | — | — | US | disclosed |
| US-20160369306-A1 | METHOD FOR THE ENZYMATIC PRODUCTION OF 3-BUTEN-2-ONE | GLOBAL BIOENERGIES (FR) | 2016-12-22 | — | — | US | disclosed |
| EP-2440669-A2 | MICROORGANISMS AND METHODS FOR CARBON-EFFICIENT BIOSYNTHESIS OF MEK AND 2-BUTANOL | Genomatica, Inc. (US) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144746-A2 | MICROORGANISMS AND METHODS FOR CARBON-EFFICIENT BIOSYNTHESIS OF MEK AND 2-BUTANOL | GENOMATICA, INC. (US) | 2010-12-16 | — | — | WO | disclosed |
| US-7524565-B2 | Radiation curable Michael addition resins having built-in photoinitiators | ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) | 2009-04-28 | — | — | US | disclosed |