⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3862714 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL10743427 | 0.86 | — | — | |
| SCHEMBL11983845 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL256016 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL5074508 | 0.78 | UGT2B7 (0.33) | — | |
| SCHEMBL11219791 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL20732767 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL8909519 | 0.77 | — | — | |
| SCHEMBL9967698 | 0.75 | LMNA (0.30) | — | |
| SCHEMBL13918235 | 0.75 | SMN1; SMN2 (0.31) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4847391-A | Process for preparing 2-(3-bromopropyl)-5,5-dimethyl-1,3-dioxane and 2-(4-bromobutyl-5,5-dimethyl-1,3-dioxane | HOECHST AKTIENGESELLSCHAFT, A CORP OF GERMANY (DE) | 1989-07-11 | — | — | US | claimed |
| EP-0220592-B1 | 2-(3-BROMOPROPYL)-5,5-DIMETHYL-1,3-DIOXANE, PROCESS FOR ITS PRODUCTION AND FOR 2-(4-BROMOBUTYL)-5,5-DIMETHYL-1,3-DIOXANE | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-02-01 | — | — | EP | claimed |
| EP-0220592-A1 | 2-(3-Bromopropyl)-5,5-dimethyl-1,3-dioxane, process for its production and for 2-(4-bromobutyl)-5,5-dimethyl-1,3-dioxane | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-05-06 | — | — | EP | claimed |
| US-20090325992-A1 | COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2009-12-31 | — | — | US | disclosed |
| EP-2055705-A1 | COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF | Ono Pharmaceutical CO., LTD. (JP) | 2009-05-06 | — | — | EP | disclosed |
| US-7498460-B2 | Isophthalic acid derivatives | BAYER HEALTHCARE AG (DE) | 2009-03-03 | — | — | US | disclosed |
| US-7429579-B2 | Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) | SMITHKLINE BEECHAM, PLC (GB) | 2008-09-30 | — | — | US | disclosed |
| EP-1572628-B1 | ISOPHTALIC ACID DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2007-07-25 | — | — | EP | disclosed |
| US-20070043080-A1 | Substituted anilinic piperidines as MCH selective antagonists | MARZABADI MOHAMMAD R | 2007-02-22 | — | — | US | disclosed |
| US-20060154912-A1 | Isophtalic acid derivatives | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-07-13 | — | — | US | disclosed |
| US-7067534-B1 | Substituted anilinic piperidines as MCH selective antagonists | H. LUNDBECK A/S (DK) | 2006-06-27 | — | — | US | disclosed |
| EP-1335915-A2 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM PLC (GB) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002040471-A9 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM PLC (GB) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003004027-A1 | SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 2003-01-16 | — | — | WO | disclosed |
| WO-2002040471-A2 | TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-05-23 | — | — | WO | disclosed |
| US-5674879-A | Compositions including and methods of using conformationally restricted angiotensin II antagonist | G.D. SEARLE & CO. (US) | 1997-10-07 | — | — | US | disclosed |
| US-5426105-A | Cardiovascular disorders | G.D. SEARLE & CO. (US) | 1995-06-20 | — | — | US | disclosed |
| US-4847391-A | Process for preparing 2-(3-bromopropyl)-5,5-dimethyl-1,3-dioxane and 2-(4-bromobutyl-5,5-dimethyl-1,3-dioxane | HOECHST AKTIENGESELLSCHAFT, A CORP OF GERMANY (DE) | 1989-07-11 | — | — | US | disclosed |
| EP-0220592-B1 | 2-(3-BROMOPROPYL)-5,5-DIMETHYL-1,3-DIOXANE, PROCESS FOR ITS PRODUCTION AND FOR 2-(4-BROMOBUTYL)-5,5-DIMETHYL-1,3-DIOXANE | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-02-01 | — | — | EP | disclosed |
| EP-0220592-A1 | 2-(3-Bromopropyl)-5,5-dimethyl-1,3-dioxane, process for its production and for 2-(4-bromobutyl)-5,5-dimethyl-1,3-dioxane | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-05-06 | — | — | EP | disclosed |