⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1263316 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8448686 | 0.97 | — | — | |
| Sulfuric Acid SCHEMBL11434159 | 0.84 | ABAT (0.33) | — | |
| SCHEMBL2289454 | 0.81 | — | — | |
| SCHEMBL5395515 | 0.81 | — | — | |
| SCHEMBL5218119 | 0.81 | — | — | |
| SCHEMBL23422431 | 0.79 | — | — | |
| SCHEMBL19472843 | 0.77 | THRB (0.32) | — | |
| SCHEMBL13858814 | 0.77 | — | — | |
| SCHEMBL22561594 | 0.77 | THRB (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3937637-B1 | HERBICIDAL 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES OF S-CONTAINING CYCLOPENTENYL CARBOXYLIC ACID ESTERS | BAYER AG (DE) | 2023-04-19 | — | — | EP | disclosed |
| EP-3743411-B1 | HERBICIDAL 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES OF CYCLOPENTENYL CARBOXYLIC ACID DERIVATIVES | BAYER AG (DE) | 2022-12-21 | — | — | EP | disclosed |
| US-7786305-B2 | Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| EP-1501507-B1 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-05-28 | — | — | EP | disclosed |
| US-7230008-B2 | Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity | MERCK & CO, INC. (US) | 2007-06-12 | — | — | US | disclosed |
| US-20050107422-A1 | Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity | MERCK SHARP & DOHME LLC | 2005-05-19 | — | — | US | disclosed |
| US-20050101628-A1 | Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity | MERCK SHARP & DOHME LLC | 2005-05-12 | — | — | US | disclosed |
| US-6812234-B2 | CCR-2; INFLAMMATORY, IMMUNOREGULATORY, ALLERGIC, AND AUTOIMMUNE DISORDERS AND DISEASES | MERCK & CO., INC. | 2004-11-02 | — | — | US | disclosed |
| US-20040167156-A1 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK SHARP & DOHME LLC | 2004-08-26 | — | — | US | disclosed |