⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL428738 | 0.83 | — | — | |
| SCHEMBL20291567 | 0.81 | — | — | |
| SCHEMBL5836574 | 0.79 | — | — | |
| SCHEMBL4104286 | 0.77 | SLC1A3 (0.33) | — | |
| SCHEMBL11601592 | 0.77 | — | — | |
| SCHEMBL9160867 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL18941015 | 0.73 | GRIK1 (0.31) | — | |
| SCHEMBL1561920 | 0.72 | — | — | |
| SCHEMBL3360711 | 0.72 | — | — | |
| SCHEMBL7024176 | 0.72 | GRIK1 (0.33) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101563084-B | 4-(1-amino-ethyl)-cyclohexylamine derivatives | ACTELION PHARMACEUTICALS LTD | 2013-02-20 | — | — | CN | disclosed |
| EP-2442644-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | Bikam Pharmaceuticals, Inc. (US) | 2012-04-25 | — | — | EP | disclosed |
| US-20120022044-A1 | TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2012-01-26 | — | — | US | disclosed |
| EP-2378879-A1 | TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-2035381-B1 | PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS | BASF SE (DE) | 2010-12-29 | — | — | EP | disclosed |
| CN-101563084-A | 4-(1-amino-ethyl)-cyclohexylamine derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2009-10-21 | — | — | CN | disclosed |
| EP-2035381-A1 | PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS | Ciba Holding Inc. (CH) | 2009-03-18 | — | — | EP | disclosed |
| WO-2008109104-A1 | BIVALENT INHIBITORS OF AKT PROTEIN KINASE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-09-12 | — | — | WO | disclosed |
| WO-2008003602-A1 | PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS | CIBA HOLDING INC. (CH) | 2008-01-10 | — | — | WO | disclosed |
| US-7271183-B2 | 2-Piperidone derivatives as prostaglandin agonists | ROCHE PALO ALTO LLC (US) | 2007-09-18 | — | — | US | disclosed |
| US-7118694-B2 | Compositions containing silicates and ion-conducting films containing the same | BASF AKTIENGESELLSCHAFT (DE) | 2006-10-10 | — | — | US | disclosed |
| US-20040142969-A1 | 2-Piperidone derivatives as prostaglandin agonists | ROCHE PALO ALTO LLC | 2004-07-22 | — | — | US | disclosed |
| US-20020160270-A1 | Compositions suitable for the use in electrochromic windows | BRONSTERT BERND (DE) | 2002-10-31 | — | — | US | disclosed |
| US-20020155353-A1 | Composition containing silicates | BRONSTERT BERND (DE) | 2002-10-24 | — | — | US | disclosed |
| US-6416905-B1 | 1 TO 95% BY WEIGHT OF A SOLID, HAVING A PRIMARY PARTICLE SIZE OF 5 NM TO 20 MICRONS, AND A POLYMER; ELECTROLYTIC CELL | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-09 | — | — | US | disclosed |
| EP-0696272-A1 | CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING N(3-BIPHENYLYL-1(S)-METHYL-2-PROPENYL) ACETOHYDROXAMIC ACID DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994025431-A1 | CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING N(3-BIPHENYLYL-1(S)-METHYL-2-PROPENYL) ACETOHYDROXAMIC ACID DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-11-10 | — | — | WO | disclosed |