⚠ 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 | |
|---|---|---|---|---|
| 1,2-Dimethoxybenzene SCHEMBL105872 | 0.78 | CA1 (1.00) | — | |
| 1,2-Dimethoxybenzene SCHEMBL29351917 | 0.78 | CA1 (1.00) | — | |
| 1,2-Dimethoxybenzene SCHEMBL5308636 | 0.78 | CA1 (1.00) | — | |
| SCHEMBL340506 | 0.77 | SMN1; SMN2 (0.50) | — | |
| 1,2-Dimethoxybenzene SCHEMBL28602492 | 0.76 | CA1 (0.93) | — | |
| 1,2-Dimethoxybenzene SCHEMBL9793057 | 0.76 | CA1 (0.93) | — | |
| 1,2-Dimethoxybenzene SCHEMBL28239483 | 0.76 | CA1 (0.93) | — | |
| 1,2-Dimethoxybenzene SCHEMBL29229370 | 0.76 | CA1 (0.93) | — | |
| 1,2-Dimethoxybenzene SCHEMBL27683756 | 0.76 | CA1 (0.93) | — | |
| 1,2-Dimethoxybenzene SCHEMBL27996309 | 0.76 | CA1 (0.93) | — |
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 796 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | claimed |
| EP-3728214-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2020-10-28 | — | — | EP | claimed |
| US-20200095241-A1 | SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-26 | — | — | US | claimed |
| US-20200079765-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-12 | — | — | US | claimed |
| US-20190330192-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-10-31 | — | — | US | claimed |
| 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 | claimed |
| EP-3558975-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| EP-3558986-A1 | SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | claimed |
| WO-2018114662-A1 | SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | claimed |
| WO-2003104250-A1 | NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) | KYLIX, B. V. (NL) | 2003-12-18 | — | — | WO | claimed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | claimed |
| US-6403633-B2 | USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-06-11 | — | — | US | claimed |
| US-5908930-A | 5,10-dihydropyrimdo 4,5-b!quinolin-4(1H)-one tyrosine kinase inhibitors | PFIZER INC. (US) | 1999-06-01 | — | — | US | claimed |
| WO-1996028444-A1 | 5,10-DIHYDROPYRIMIDO[4,5-b]QUINOLIN-4(1H)-ONE TYROSINE KINASE INHIBITORS | PFIZER INC. (US) | 1996-09-19 | — | — | WO | claimed |
| US-5270311-A | [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-14 | — | — | US | claimed |
| EP-0459702-A1 | Azole Derivatives | ZENECA LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| US-4650868-A | 7-deazapurine derivatives useful as antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-03-17 | — | — | US | claimed |
| US-4138558-A | Anthraquinone compounds | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1979-02-06 | — | — | US | claimed |
| US-3941791-A | OPTICAL BRIGHTENER | BASF AKTIENGESELLSCHAFT (DT) | 1976-03-02 | — | — | US | claimed |