⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8764171 | 0.83 | — | — | |
| SCHEMBL3882447 | 0.81 | — | — | |
| SCHEMBL22341177 | 0.81 | NOS3 (0.35) | — | |
| SCHEMBL18597825 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL14104396 | 0.76 | CYP2A6 (0.30) | — | |
| SCHEMBL17874213 | 0.74 | — | — | |
| SCHEMBL1633779 | 0.69 | — | — | |
| SCHEMBL23570009 | 0.69 | CYP2C9 (0.42) | — | |
| SCHEMBL12556375 | 0.69 | — | — | |
| SCHEMBL23570010 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021186166-A1 | GLP RECEPTOR AGONISTS | HEPTARES THERAPEUTICS LIMITED (GB) | 2021-09-23 | — | — | WO | disclosed |
| EP-3771017-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2021-01-27 | — | — | EP | disclosed |
| EP-3694041-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE | Daikin Industries, Ltd. (JP) | 2020-08-12 | — | — | EP | disclosed |
| EP-2285979-B2 | HYBRIDIZATION COMPOSITIONS AND METHODS | DAKO DENMARK AS (DK) | 2020-02-19 | — | — | EP | disclosed |
| EP-2594569-B1 | ENTECAVIR SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF | ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) | 2019-03-20 | — | — | EP | disclosed |
| EP-1318811-B1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-08-30 | — | — | EP | disclosed |
| US-3946081-A | OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |