⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2495332 | 0.82 | — | — | |
| SCHEMBL2538708 | 0.78 | CA12 (0.53) | — | |
| Formaldehyde SCHEMBL28867396 | 0.77 | CA12 (0.53) | — | |
| Hydrochloric Acid SCHEMBL27935953 | 0.76 | CA12 (0.52) | — | |
| SCHEMBL12934590 | 0.76 | CYP1A2 (0.49) | — | |
| SCHEMBL30824501 | 0.74 | — | — | |
| SCHEMBL828082 | 0.74 | — | — | |
| SCHEMBL9372692 | 0.74 | — | — | |
| SCHEMBL25403165 | 0.74 | CA12 (0.42) | — | |
| SCHEMBL2541782 | 0.73 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024071216-A1 | PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学クロップ＆ライフソリューション株式会社 | 2024-04-04 | — | — | WO | disclosed |
| WO-2023171783-A1 | PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2023-09-14 | — | — | WO | disclosed |
| US-7572918-B2 | Prepared in high yield and high purity without the need for isolation of intermediates and chromatographic purification; useful as muscarinic receptor antagonists; 4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)-pyrrolidin-1-yl)-hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)-piperidine | THERAVANCE, INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-20080091034-A1 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. | 2008-04-17 | — | — | US | disclosed |
| US-7285564-B2 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. (US) | 2007-10-23 | — | — | US | disclosed |
| EP-1556372-B1 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2007-05-30 | — | — | EP | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-20060094878-A1 | Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. | 2006-05-04 | — | — | US | disclosed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | disclosed |
| US-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | US | disclosed |
| EP-1326843-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. Hoffmann-La Roche AG (CH) | 2003-07-16 | — | — | EP | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| US-6476021-B1 | Compounds having cGMP-PDE inhibitory effect | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-05 | — | — | US | disclosed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | disclosed |
| EP-1048666-A1 | NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-11-02 | — | — | EP | disclosed |