⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29502013 | 1.00 | — | — | |
| SCHEMBL8943124 | 0.91 | CYP3A4 (0.48) | — | |
| Formic Acid Methyl Ester SCHEMBL23716948 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL417566 | 0.81 | CYP1A1 (0.54) | — | |
| SCHEMBL29722285 | 0.79 | — | — | |
| SCHEMBL102467 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL28156672 | 0.77 | CYP3A4 (0.54) | — | |
| Hydrochloric Acid SCHEMBL11831950 | 0.77 | CYP3A4 (0.54) | — | |
| SCHEMBL22065284 | 0.77 | TAAR1 (0.60) | — | |
| SCHEMBL27840745 | 0.77 | NR4A1 (0.48) | — |
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 886 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112830927-A | Purine quinazolinone derivative and preparation method thereof | 山西科灜科技有限公司 | 2021-05-25 | — | — | CN | claimed |
| CN-105669564-A | Urea compound and preparation method, medicine composition, intermediate and application thereof | 上海医药工业研究院 | 2016-06-15 | — | — | CN | claimed |
| CN-101987923-A | Fluorine type heat sensitive dye for heat sensitive recording materials | YIXING XINCHENG CHEMICAL MATERIAL PREPARATION CO LTD | 2011-03-23 | — | — | CN | claimed |
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | claimed |
| US-7009052-B2 | Sulfonamide derivatives | WARNER LAMBERT COMPANY LLC (US) | 2006-03-07 | — | — | US | claimed |
| US-20050004367-A1 | Sulfonamide derivatives | DU DANIEL Y (US) | 2005-01-06 | — | — | US | claimed |
| US-20040110778-A1 | Heterocyclic compounds as ligands of the GABAA receptor | YOHANNES DANIEL (US) | 2004-06-10 | — | — | US | claimed |
| EP-1422218-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2004-05-26 | — | — | EP | claimed |
| EP-1325006-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR | NEUROGEN CORPORATION (US) | 2003-07-09 | — | — | EP | claimed |
| US-20030105081-A1 | Heterocyclic compounds as ligands of the GABAA receptor | PFIZER INC | 2003-06-05 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| EP-0020623-B1 | ANALYTICAL PROCESS AND MEANS FOR MEASURING THE AMOUNT OF HYDROGEN PEROXIDE IN AQUEOUS MEDIA AND OF ORGANIC SUBSTRATES GENERATING HYDROGEN PEROXIDE BY ENZYMATIC OXIDATION | BATTELLE MEMORIAL INSTITUTE (CH) | 1982-12-22 | — | — | EP | claimed |
| US-4353983-A | ELECTROCHEMISTRY | BATTELLE MEMORIAL INSTITUTE (CH) | 1982-10-12 | — | — | US | claimed |
| EP-0020623-A1 | ANALYTICAL PROCESS AND MEANS FOR MEASURING THE AMOUNT OF HYDROGEN PEROXIDE IN AQUEOUS MEDIA AND OF ORGANIC SUBSTRATES GENERATING HYDROGEN PEROXIDE BY ENZYMATIC OXIDATION. | BATTELLE MEMORIAL INSTITUTE (CH) | 1981-01-07 | — | — | EP | claimed |
| WO-1980001081-A1 | ANALYTICAL PROCESS AND MEANS FOR MEASURING THE AMOUNT OF HYDROGEN PEROXIDE IN AQUEOUS MEDIA AND OF ORGANIC SUBSTRATES GENERATING HYDROGEN PEROXIDE BY ENZYMATIC OXIDATION | BATTELLE MEMORIAL INSTITUTE (CH) | 1980-05-29 | — | — | WO | claimed |