⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL9629496 | 0.95 | — | — | |
| Formaldehyde SCHEMBL27952790 | 0.87 | — | — | |
| SCHEMBL27371427 | 0.74 | — | — | |
| SCHEMBL788703 | 0.74 | — | — | |
| SCHEMBL9745887 | 0.74 | — | — | |
| SCHEMBL14112035 | 0.74 | — | — | |
| SCHEMBL5944 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL27287422 | 0.71 | ALDH1A1 (0.40) | — | |
| Lithium SCHEMBL1395029 | 0.70 | — | — | |
| SCHEMBL6885298 | 0.70 | — | — |
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 407 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2931724-B1 | PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS | PURDUE PHARMA LP (US) | 2017-01-25 | — | — | EP | claimed |
| US-20140187549-A1 | Pyridonemorphinan Analogs and Biological Activity on Opioid Receptors | PURDUE PHARMA L.P. (US) | 2014-07-03 | — | — | US | claimed |
| US-20090042730-A1 | Substituted Arylketones | HERRMANN STEFAN | 2009-02-12 | — | — | US | claimed |
| US-7456133-B2 | Substituted arylketones | BAYER CROPSCIENCE AG (DE) | 2008-11-25 | — | — | US | claimed |
| CN-101220015-A | Synthesis method for producing siskin isoflavonoid | NANJING RALLY BIOCHEMICAL INC (CN) | 2008-07-16 | — | — | CN | claimed |
| EP-1776364-A2 | PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN | BioMarin Pharmaceutical Inc. (US) | 2007-04-25 | — | — | EP | claimed |
| US-20060252647-A1 | Herbicides; broad active spectrum; on soil and above ground plant parts use | HERRMANN STEFAN | 2006-11-09 | — | — | US | claimed |
| US-7112554-B2 | Substituted arylketones | BAYER CROPSCIENCE AG (DE) | 2006-09-26 | — | — | US | claimed |
| WO-2005049614-A2 | PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN | BIOMARIN PHARMACEUTICAL INC. (US) | 2005-06-02 | — | — | WO | claimed |
| US-6864219-B2 | Substituted aryl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 2005-03-08 | — | — | US | claimed |
| EP-0440887-A1 | Improvement in the total synthesis of Erbstatin analogs | FARMITALIA CARLO ERBA S.r.l. (IT) | 1991-08-14 | — | — | EP | claimed |
| WO-1991000854-A1 | N,N'-DICARBOXYMETHYL, N,N'-DIAMINOCARBONYLMETHYL-DIAMINOALKANE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-01-24 | — | — | WO | claimed |
| EP-0408384-A1 | N,N'-dicarboxymethyl, N,N'-dicarbamoylmethyl diaminoalkane derivatives and their use in pharmaceutical compositions. | BTG INTERNATIONAL LIMITED (GB) | 1991-01-16 | — | — | EP | claimed |
| EP-0151319-B1 | Hexahydrobenzo[de]quinoline derivatives and their preparation | ELI LILLY AND COMPANY (US) | 1988-04-20 | — | — | EP | claimed |
| EP-0151319-A1 | Hexahydrobenzo[de]quinoline derivatives and their preparation | ELI LILLY AND COMPANY (US) | 1985-08-14 | — | — | EP | claimed |
| EP-0061110-B1 | NITRO-ANILINES | CELAMERCK GmbH & Co. KG (DE) | 1984-08-08 | — | — | EP | claimed |
| EP-0050881-B1 | OCTAHYDRO QUINOLINE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1984-04-25 | — | — | EP | claimed |
| EP-0061110-A1 | Nitro-anilines | CELAMERCK GmbH & Co. KG (DE) | 1982-09-29 | — | — | EP | claimed |
| EP-0050881-A1 | Octahydro quinoline derivatives | ELI LILLY AND COMPANY (US) | 1982-05-05 | — | — | EP | claimed |
| US-4127581-A | Method for the preparation of 3-phenyl-5-substituted-4(1H)-pyridones | ELI LILLY AND COMPANY (US) | 1978-11-28 | — | — | US | claimed |