⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3159038 | 0.82 | ADRA2A (0.61) | — | |
| SCHEMBL921584 | 0.79 | — | — | |
| SCHEMBL13667796 | 0.78 | — | — | |
| SCHEMBL5583178 | 0.77 | — | — | |
| SCHEMBL23465162 | 0.77 | ADRA2A (0.47) | — | |
| SCHEMBL14730583 | 0.76 | — | — | |
| SCHEMBL13855726 | 0.76 | — | — | |
| SCHEMBL4517918 | 0.74 | ADRA2A (0.53) | — | |
| SCHEMBL919357 | 0.74 | TAAR1 (0.55) | — | |
| SCHEMBL920770 | 0.73 | TAAR1 (0.53) | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1392660-B1 | SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS | BAYER AG (DE) | 2010-08-04 | — | — | EP | claimed |
| WO-2009023669-A1 | SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-02-19 | — | — | WO | claimed |
| US-20090048295-A1 | SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF | JANSSEN PHARMACEUTICE N.V. (BE) | 2009-02-19 | — | — | US | claimed |
| US-20040171491-A1 | Substituted benzoylcyclohexenones and their use as herbicidal agents | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2004-09-02 | — | — | US | claimed |
| EP-1392660-A1 | SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS | Bayer Aktiengesellschaft (DE) | 2004-03-03 | — | — | EP | claimed |
| WO-2002092574-A1 | SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS | BAYER CROPSCIENCE AG (DE) | 2002-11-21 | — | — | WO | claimed |
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| US-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| EP-1392660-B1 | SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS | BAYER AG (DE) | 2010-08-04 | — | — | EP | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| EP-1796675-A4 | COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES | MERCK & CO INC (US) | 2009-03-04 | — | — | EP | disclosed |
| WO-2009023669-A1 | SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-02-19 | — | — | WO | disclosed |
| US-20090048295-A1 | SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF | JANSSEN PHARMACEUTICE N.V. (BE) | 2009-02-19 | — | — | US | disclosed |
| WO-1997018201-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-22 | — | — | WO | disclosed |
| EP-0465254-B1 | Fused thiophene compounds and uses thereof | YOSHITOMI PHARMACEUTICAL (JP) | 1996-11-13 | — | — | EP | disclosed |
| WO-1996023785-A1 | SUBSTITUTED 1,4-PIPERAZINE-HETEROARYL DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-08-08 | — | — | WO | disclosed |
| WO-1996017842-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-06-13 | — | — | WO | disclosed |
| WO-1996004274-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-15 | — | — | WO | disclosed |
| US-5141930-A | Antianxietic drug, antipsychotics and cardiotonic agents | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-08-25 | — | — | US | disclosed |
| EP-0465254-A1 | Fused thiophene compounds and uses thereof | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-01-08 | — | — | EP | disclosed |