⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2090735 | 1.00 | — | — | |
| 1,3-Dimethoxybenzene SCHEMBL27953806 | 0.81 | ACHE (0.64) | — | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.81 | ACHE (0.70) | — | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.81 | ACHE (0.70) | — | |
| SCHEMBL196765 | 0.79 | CYP3A4 (0.73) | — | |
| SCHEMBL29489425 | 0.79 | CYP3A4 (0.73) | — | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.78 | ACHE (0.67) | — | |
| 1,3-Dimethoxybenzene SCHEMBL28542304 | 0.78 | ACHE (0.67) | — | |
| 1,3-Dimethoxybenzene SCHEMBL7860661 | 0.78 | ACHE (0.67) | — | |
| 1,3-Dimethoxybenzene SCHEMBL15870025 | 0.78 | ACHE (0.67) | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111205239-A | 1,2, 4-oxadiazole-5-imine derivative and synthetic method thereof | 湖北科技学院 | 2020-05-29 | — | — | CN | claimed |
| CN-102557969-B | Cyclic ketone derivatives and applications thereof as developers and aggregation inhibitors of amyloid protein sediments and neurofibrillary tangles | USTC UNIV SCIENCE TECH CN | 2015-03-18 | — | — | CN | claimed |
| US-20090281046-A1 | Cyclopropanated Carbohydrates | SETON HALL UNIVERSITY | 2009-11-12 | — | — | US | claimed |
| US-6117873-A | CAN BE USED FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS WHICH RESPOND TO BLOCKAGE OF EXCITATORY AMINO ACID RECEPTORS | NOVARTIS AG (CH) | 2000-09-12 | — | — | US | claimed |
| CN-111205239-A | 1,2, 4-oxadiazole-5-imine derivative and synthetic method thereof | 湖北科技学院 | 2020-05-29 | — | — | CN | disclosed |
| US-20190330192-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-10-31 | — | — | US | disclosed |
| EP-3558976-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | disclosed |
| EP-2978767-B1 | DYEING METHOD USING A HAIR-DYEING PRECURSOR OBTAINED FROM IRIDOIDS, COMPOSITION, PRECURSOR AND DEVICE INCLUDING SAME | OREAL (FR) | 2018-10-03 | — | — | EP | disclosed |
| CN-102557969-B | Cyclic ketone derivatives and applications thereof as developers and aggregation inhibitors of amyloid protein sediments and neurofibrillary tangles | USTC UNIV SCIENCE TECH CN | 2015-03-18 | — | — | CN | disclosed |
| US-8222218-B2 | Cyclopropanated carbohydrates | SETON HALL UNIVERSITY (US) | 2012-07-17 | — | — | US | disclosed |
| US-8163753-B2 | 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-04-24 | — | — | US | disclosed |
| EP-1893634-B1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-12-21 | — | — | EP | disclosed |
| EP-1678185-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-07-12 | — | — | EP | disclosed |
| EP-1670470-A1 | PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005042542-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-05-12 | — | — | WO | disclosed |
| WO-2005030209-A1 | PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2005-04-07 | — | — | WO | disclosed |
| US-6117873-A | CAN BE USED FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS WHICH RESPOND TO BLOCKAGE OF EXCITATORY AMINO ACID RECEPTORS | NOVARTIS AG (CH) | 2000-09-12 | — | — | US | disclosed |
| EP-0934326-A1 | SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS | Novartis AG (CH) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017672-A1 | SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS | NOVARTIS AG (CH) | 1998-04-30 | — | — | WO | disclosed |
| EP-0346161-A1 | Acid zinc-nickel plating baths | MCGEAN-ROHCO, INC. (US) | 1989-12-13 | — | — | EP | disclosed |