⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15241174 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL4661857 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL313650 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL15060852 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL6383256 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL6276387 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL2456824 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL6273599 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL972535 | 1.00 | DNM1 (0.60) | — | |
| SCHEMBL15240966 | 1.00 | DNM1 (0.60) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080311184-A1 | METHOD FOR DEVELOPING, TESTING, AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES | IDEA AG (DE) | 2008-12-18 | — | — | US | claimed |
| CN-1906155-A | Novel hydroxamic acid esters and pharmaceutical use thereof | LEO PHARMA AS (DK) | 2007-01-31 | — | — | CN | claimed |
| EP-2389373-B1 | DERIVATIVES OF N2-(3-PYRIDYL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES | RIGEL PHARMACEUTICALS INC (US) | 2017-05-17 | — | — | EP | disclosed |
| CN-103221405-B | Substituted pyridine compound | DAIICHI SANKYO CO LTD | 2015-04-22 | — | — | CN | disclosed |
| CN-103221405-A | Substituted pyridine compound | DAIICHI SANKYO CO LTD | 2013-07-24 | — | — | CN | disclosed |
| CN-1906155-A | Novel hydroxamic acid esters and pharmaceutical use thereof | LEO PHARMA AS (DK) | 2007-01-31 | — | — | CN | disclosed |
| US-4201689-A | PRECIPITATING ALKALI METAL SILICATES AND ALUMINATES IN THE PRESENCE OF A SURFACTANT | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1980-05-06 | — | — | US | disclosed |