⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL1335989 | 0.97 | TSHR (0.53) | — | |
| Fluoride SCHEMBL4456415 | 0.97 | TSHR (0.53) | — | |
| Hydrochloric Acid SCHEMBL1847829 | 0.94 | TSHR (0.50) | — | |
| SCHEMBL5610006 | 0.77 | TSHR (0.45) | — | |
| SCHEMBL186618 | 0.75 | — | — | |
| O-Xylene SCHEMBL10522915 | 0.73 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL11034038 | 0.73 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL772 | 0.73 | — | — | |
| O-Xylene SCHEMBL170581 | 0.73 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL8216257 | 0.73 | TSHR (1.00) | — |
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 1398 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114423742-B | Benzotriazole-based compound, light absorber and resin composition | 三井化学株式会社 | 2024-05-28 | — | — | CN | claimed |
| US-20220227801-A1 | TETRASACCHARIDES FOR THE DIAGNOSIS, PREVENTION, AND TREATMENT OF MELIOIDOSIS AND GLANDERS | INSTITUT NATIONAL DE LA RECHERCHE EN SCIENTIFIQUE (CA) | 2022-07-21 | — | — | US | claimed |
| EP-4007763-A1 | TETRASACCHARIDES FOR THE DIAGNOSIS, PREVENTION, AND TREATMENT OF MELIOIDOSIS AND GLANDERS | Institut National de la Recherche Scientifique (CA) | 2022-06-08 | — | — | EP | claimed |
| CN-112218860-A | Substituted phenylthiouracils, their salts and their use as herbicides | 先正达农作物保护股份公司 | 2021-01-12 | — | — | CN | claimed |
| 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 |
| WO-2020243815-A1 | TETRASACCHARIDES FOR THE DIAGNOSIS, PREVENTION, AND TREATMENT OF MELIOIDOSIS AND GLANDERS | INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) | 2020-12-10 | — | — | WO | 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 |
| CN-111727185-A | Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances | 拜耳公司 | 2020-09-29 | — | — | CN | claimed |
| CN-111479812-A | dopamine-B-hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2020-07-31 | — | — | CN | 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 |
| 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 |
| EP-0805795-B1 | NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES | HOECHST SCHERING AGREVO SA (FR) | 2000-08-23 | — | — | EP | claimed |
| EP-0805795-A1 | NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES | Hoechst Schering AgrEvo S.A. (FR) | 1997-11-12 | — | — | EP | claimed |
| WO-1996022965-A1 | NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES | HOECHST SCHERING AGREVO S.A. (FR) | 1996-08-01 | — | — | WO | claimed |
| US-4841030-A | Azo reactive dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1989-06-20 | — | — | US | claimed |
| EP-0223141-A1 | Benzimidates | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1987-05-27 | — | — | EP | claimed |
| US-4341551-A | HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS | SCHERING AG (DE) | 1982-07-27 | — | — | US | claimed |
| US-4138558-A | Anthraquinone compounds | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1979-02-06 | — | — | US | claimed |
| US-4113495-A | 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS | FUJI PHOTO FILM CO., LTD. (JP) | 1978-09-12 | — | — | US | claimed |