⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL725094 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL456770 | 0.76 | — | — | |
| SCHEMBL2011795 | 0.75 | — | — | |
| SCHEMBL5682102 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL10595194 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL11292216 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL12787733 | 0.74 | — | — | |
| SCHEMBL28948850 | 0.74 | — | — | |
| SCHEMBL2014045 | 0.73 | CA12 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL2788239 | 0.72 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4104462-A | Cardioactive adenosine nitrates | HOFFMANN-LA ROCHE INC. (US) | 1978-08-01 | — | — | US | claimed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-9365489-B2 | Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance | DSM IP ASSETS B.V. (NL) | 2016-06-14 | — | — | US | disclosed |
| US-8784871-B2 | Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance | DSM IP ASSETS B.V. (NL) | 2014-07-22 | — | — | US | disclosed |
| US-20140134282-A1 | NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE | DSM IP ASSETS B.V. (NL) | 2014-05-15 | — | — | US | disclosed |
| EP-2509435-B1 | NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE | DSM IP ASSETS BV (NL) | 2014-02-26 | — | — | EP | disclosed |
| US-20120315339-A1 | NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE | DSM IP ASSETS B.V. (NL) | 2012-12-13 | — | — | US | disclosed |
| EP-2509435-A1 | NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE | DSM IP Assets B.V. (NL) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011070133-A1 | NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE | DSM IP ASSETS B.V. (NL) | 2011-06-16 | — | — | WO | disclosed |
| US-20090318432-A1 | Nitrate esters of aminoalcohols | SPEEDEL EXPERIMENTA AG (CH) | 2009-12-24 | — | — | US | disclosed |
| EP-2061751-A1 | NITRATE ESTERS OF AMINOALCOHOLS | Novartis Ag (CH) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008031811-A1 | NITRATE ESTERS OF AMINOALCOHOLS | SPEEDEL EXPERIMENTA AG (CH) | 2008-03-20 | — | — | WO | disclosed |
| US-5716971-A | FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0623597-B1 | Pyridine derivatives, with potassium channel opening activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0623597-A1 | Pyridine derivatives, with potassium channel opening activity | Takeda Chemical Industries, Ltd. (JP) | 1994-11-09 | — | — | EP | disclosed |
| US-4565824-A | Certain nitratoalkyl ester dihydropyridines having antihypertensive properties | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | disclosed |
| US-4104462-A | Cardioactive adenosine nitrates | HOFFMANN-LA ROCHE INC. (US) | 1978-08-01 | — | — | US | disclosed |