⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3079293 | 0.82 | PTGS1 (0.31) | — | |
| SCHEMBL8336653 | 0.71 | — | — | |
| SCHEMBL6659485 | 0.69 | GRIN2D (0.31) | — | |
| SCHEMBL7002732 | 0.65 | — | — | |
| SCHEMBL7545353 | 0.63 | PKM (0.30) | — | |
| SCHEMBL17586295 | 0.61 | PKM (0.46) | — | |
| SCHEMBL3654075 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL8787565 | 0.61 | — | — | |
| SCHEMBL6664271 | 0.60 | — | — | |
| SCHEMBL5145929 | 0.60 | PKM (0.50) | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105106981-B | Dianthranide quinones application in preparation of anti-tumor drugs | 江苏省中医药研究院 | 2018-12-28 | — | — | CN | claimed |
| US-20210169864-A1 | COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS | MERZ PHARMA GMBH & CO KGAA (DE) | 2021-06-10 | — | — | US | disclosed |
| CN-109563028-A | The method for preparing isocyanates and other at least one chemical products in production association | 科思创德国股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109310668-A | Positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2019-02-05 | — | — | CN | disclosed |
| CN-105106981-B | Dianthranide quinones application in preparation of anti-tumor drugs | 江苏省中医药研究院 | 2018-12-28 | — | — | CN | disclosed |
| CN-107787317-A | The method that hydrogen chloride for chemical reaction is provided | 科思创德国股份有限公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-107787318-A | Process for preparing polyisocyanates | 科思创德国股份有限公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-104039859-B | Hydroxyl amino polymer and preparation method thereof | 科思创德国股份有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-106458842-A | Methods for producing chemical products with operation interruptions | 科思创德国股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| US-20160136144-A1 | COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2016-05-19 | — | — | US | disclosed |
| CN-1720035-A | Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors | MERZ PHARMA GMBH & CO KGAA (DE) | 2006-01-11 | — | — | CN | disclosed |
| EP-1556019-A2 | COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS | Merz Pharma GmbH & Co. KGaA (DE) | 2005-07-27 | — | — | EP | disclosed |
| CN-1602292-A | Unsaturated 1-amino-alkylcyclohexane NMDA, 5HT3 and neuronal nicotinic receptor antagonists | MERZ PHARMA GMBH & CO KGAA (DE) | 2005-03-30 | — | — | CN | disclosed |
| US-6828462-B2 | Amines such as 3,3,5,5-Tetramethyl-1-vinylcyclohexanamine hydrochloride, used as N-methyl-D-aspartate (NMDA), serotonin and nicotinic acetylcholine receptor antagonists | MERZ PHARMA GMBH & CO. KGAA (DE) | 2004-12-07 | — | — | US | disclosed |
| EP-1442008-A1 | UNSATURATED 1-AMINO-ALKYLCYCLOHEXANE NMDA, 5HT3 AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS | Merz Pharma GmbH & Co. KGaA (DE) | 2004-08-04 | — | — | EP | disclosed |
| WO-2004037234-A2 | COMBINATION THERAPY USING 1-AMINOCYCLOHEXANE DERIVATIVES AND ACETYLCHOLINESTERASE INHIBITORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2004-05-06 | — | — | WO | disclosed |
| US-20040087658-A1 | Synergistic mixture; Alzheimer's disease therapy | MERZ PHARMA GMBH & CO. KGAA (DE) | 2004-05-06 | — | — | US | disclosed |
| US-20030166634-A1 | Unsaturated 1-Amino-alkylcyclohexane NMDA, 5HT3, and neuronal nicotinic receptor antagonists | MERZ PHARMA GMBH & CO. KGAA (DE) | 2003-09-04 | — | — | US | disclosed |
| WO-2003040084-A1 | UNSATURATED 1-AMINO-ALKYLCYCLOHEXANE NMDA, 5HT3 AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2003-05-15 | — | — | WO | disclosed |
| WO-1992000981-A1 | NOVEL 3-SUBSTITUTED CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF | DAE WOONG PHARMACEUTICAL CO., LTD. (KR) | 1992-01-23 | — | — | WO | disclosed |