⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6911543 | 0.79 | — | — | |
| Malonic Acid SCHEMBL21815640 | 0.79 | — | — | |
| Malonic Acid SCHEMBL336 | 0.74 | — | — | |
| Malonic Acid SCHEMBL23831 | 0.74 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL28221810 | 0.74 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL1332587 | 0.74 | — | — | |
| Malonic Acid SCHEMBL3358611 | 0.74 | — | — | |
| Malonic Acid SCHEMBL1332554 | 0.74 | — | — | |
| Malonic Acid SCHEMBL1332405 | 0.74 | — | — | |
| Malonic Acid SCHEMBL27291114 | 0.72 | LDHA (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 |
|---|---|---|---|---|---|---|---|
| CN-110028456-A | A kind of barbituric acid derivatives and preparation method and application | 齐鲁工业大学 | 2019-07-19 | — | — | CN | disclosed |
| CN-109971808-A | The method for preparing malonyl product | 北京中医药大学 | 2019-07-05 | — | — | CN | disclosed |
| EP-3085690-A1 | NEW UREA COMPOUND, MANUFACTURING METHOD AND APPLICATION THEREOF | Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) | 2016-10-26 | — | — | EP | disclosed |
| US-9090629-B2 | Cytotoxic agents comprising new ansamitocin derivatives | IMMUNOGEN, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| WO-2012135669-A1 | NITROGEN RING CONTAINING COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS | WEINGARTEN M DAVID (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2009152166-A1 | [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS | ANADYS PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |
| US-20080312255-A1 | PIPERDINE COMPOUNDS AND USES THEREOF-911 | ASTRAZENECA AB (SE) | 2008-12-18 | — | — | US | disclosed |
| WO-2005080372-A1 | DIHYDROPYRIDINONE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2005-09-01 | — | — | WO | disclosed |
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |