⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8436804 | 0.74 | — | — | |
| SCHEMBL15182922 | 0.71 | NOTUM (0.38) | — | |
| SCHEMBL22749598 | 0.70 | — | — | |
| SCHEMBL25424005 | 0.69 | HTR2C (0.34) | — | |
| SCHEMBL4973127 | 0.68 | — | — | |
| SCHEMBL14242057 | 0.68 | EPHX2 (0.32) | — | |
| SCHEMBL17881862 | 0.68 | — | — | |
| SCHEMBL1106086 | 0.67 | KCNH2 (0.33) | — | |
| SCHEMBL1204756 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL24290305 | 0.66 | CYP11B2 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839144-B1 | PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL GMBH (DE) | 2001-09-19 | — | — | EP | claimed |
| EP-4041714-B1 | BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS | JANSSEN BIOTECH INC (US) | 2023-12-13 | — | — | EP | disclosed |
| US-20230037448-A1 | FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES | NOVIRA THERAPEUTICS, LLC | 2023-02-09 | — | — | US | disclosed |
| US-20120316188-A1 | PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | BOLEA CHRISTELLE (CH) | 2012-12-13 | — | — | US | disclosed |
| EP-0839144-B1 | PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL GMBH (DE) | 2001-09-19 | — | — | EP | disclosed |