⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15286797 | 1.00 | TSHR (0.64) | — | |
| SCHEMBL106343 | 1.00 | — | — | |
| SCHEMBL15286796 | 1.00 | TSHR (0.64) | — | |
| SCHEMBL819289 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27974252 | 0.97 | — | — | |
| Acrylic Acid SCHEMBL1082039 | 0.88 | LMNA (0.56) | — | |
| Fumaric Acid SCHEMBL15689651 | 0.85 | TSHR (0.75) | — | |
| Maleic Acid SCHEMBL8032158 | 0.85 | TSHR (0.75) | — | |
| Fumaric Acid SCHEMBL289218 | 0.85 | TSHR (0.75) | — | |
| Fumaric Acid SCHEMBL3825816 | 0.85 | TSHR (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 575 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107098807-B | Fermentation pathways for the production of levulinic acid, levulinic acid esters, valerolactone, and derivatives thereof | 阿泽达公司 | 2020-07-10 | — | — | CN | claimed |
| US-9693942-B2 | 4-oxo-2-pentenoic acid and skin pigmentation | NESTEC S.A. (CH) | 2017-07-04 | — | — | US | claimed |
| US-9523105-B2 | Fermentation route for the production of levulinic acid, levulinate esters and valerolactone and derivatives thereof | ARZEDA CORPORATION (US) | 2016-12-20 | — | — | US | claimed |
| US-9486425-B2 | 4-oxo-2-pentenoic acid and liver disorders | NESTEC S.A. (CH) | 2016-11-08 | — | — | US | claimed |
| EP-3080610-A1 | UNIVERSAL ANTIGEN RETRIEVAL COMPOUNDS AND METHODS OF USE | University of Houston System (US) | 2016-10-19 | — | — | EP | claimed |
| EP-2830610-B1 | 4-OXO-2-PENTENOIC ACID AND LIVER DISORDERS | NESTEC SA (CH) | 2016-05-04 | — | — | EP | claimed |
| EP-2830612-B1 | 4-OXO-2-PENTENOIC ACID AND THE HEALTH OF THE DIGESTIVE TRACT | NESTEC SA (CH) | 2016-05-04 | — | — | EP | claimed |
| EP-2830613-B1 | 4-OXO-2-PENTENOIC ACID AND CARDIOVASCULAR HEALTH | NESTEC SA (CH) | 2016-04-27 | — | — | EP | claimed |
| EP-2830611-B1 | 4-OXO-2-PENTENOIC ACID AND BRAIN HEALTH | NESTEC SA (CH) | 2016-04-27 | — | — | EP | claimed |
| EP-2830609-B1 | 4-OXO-2-PENTENOIC ACID AND SKIN PIGMENTATION | NESTEC SA (CH) | 2016-03-23 | — | — | EP | claimed |
| WO-2012075053-A2 | LIGNIN OXIDATION AND PRODUCTS THEREOF | STRATEGIC ENZYME APPLICATIONS, INC. (US) | 2012-06-07 | — | — | WO | claimed |
| EP-2451450-A1 | NEW INHIBITORS OF PROLINE RACEMASE ENZYMES | Institut Pasteur (FR) | 2012-05-16 | — | — | EP | claimed |
| WO-2012030860-A1 | FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS, VALEROLACTONE, AND DERIVATIVES THEREOF | ARZEDA CORP. (US) | 2012-03-08 | — | — | WO | claimed |
| EP-2413973-A1 | POLYMERIC CONJUGATES OF PACLITAXEL AND DOCETAXEL WITH PH-CONTROLLED RELEASING OF THE CANCEROSTATIC AGENT | Zentiva, K.S. (CZ) | 2012-02-08 | — | — | EP | claimed |
| WO-2011004323-A1 | NEW INHIBITORS OF PROLINE RACEMASE ENZYMES | INSTITUT PASTEUR (FR) | 2011-01-13 | — | — | WO | claimed |
| EP-2272510-A1 | Inhibitors of the proline racemase of trypanosoma cruzi | Institut Pasteur (FR) | 2011-01-12 | — | — | EP | claimed |
| WO-2010091650-A1 | POLYMERIC CONJUGATES OF PACLITAXEL AND DOCETAXEL WITH PH-CONTROLLED RELEASING OF THE CANCEROSTATIC AGENT | ZENTIVA, K.S. (CZ) | 2010-08-19 | — | — | WO | claimed |
| US-20100022461-A1 | Novel Derivatives of Cyclic Compound And The Use Thereof | WONKISOPHARM CO., LTD. (KR) | 2010-01-28 | — | — | US | claimed |
| WO-1993013076-A1 | GASTRIC ACID SECRETION-INHIBITING, AND GASTROCYTOPROTECTIVE PHARMACEUTICAL COMPOSITIONS, NOVEL FAMOTIDINE SALTS AND PROCESS FOR PREPARING SAME | Richter Gedeon Vegyészeti Gyár Rt. (HU) | 1993-07-08 | — | — | WO | claimed |
| US-4154817-A | Smell-removing and deodorizing composition and process of using same | KAO SOAP CO., LTD. (JP) | 1979-05-15 | — | — | US | claimed |