⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26986006 | 1.00 | — | — | |
| SCHEMBL8079198 | 0.98 | CHRM2 (0.45) | — | |
| SCHEMBL15206686 | 0.98 | CHRM2 (0.45) | — | |
| SCHEMBL8071010 | 0.98 | CHRM2 (0.45) | — | |
| Water SCHEMBL5064656 | 0.98 | CHRM2 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL28447523 | 0.96 | CHRM2 (0.44) | — | |
| SCHEMBL4667952 | 0.86 | CHRM2 (0.44) | — | |
| SCHEMBL4767155 | 0.85 | CHRM2 (0.42) | — | |
| SCHEMBL4773015 | 0.85 | CHRM2 (0.42) | — | |
| Acrylic Acid SCHEMBL29961388 | 0.84 | CHRM2 (0.36) | — |
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 384 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805028-B | Method for removing trace aldehyde impurities in 1, 3-propylene glycol | 万华化学集团股份有限公司 | 2023-07-14 | — | — | CN | claimed |
| CN-111948323-B | Pretreatment device and content determination method for volatile organic gas | 浙江中环瑞蓝科技发展有限公司 | 2022-09-30 | — | — | CN | claimed |
| CN-114805028-A | Method for removing trace aldehyde group impurities in 1, 3-propylene glycol | 万华化学集团股份有限公司 | 2022-07-29 | — | — | CN | claimed |
| CN-111265526-B | Medicine for treating gastric cancer and preparation method thereof | 黑龙江中医药大学 | 2021-03-19 | — | — | CN | claimed |
| CN-111419800-B | Medicinal preparation for treating lupus erythematosus and preparation method thereof | 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 | 2021-03-19 | — | — | CN | claimed |
| CN-111948323-A | Pretreatment device and content determination method for volatile organic gas | 浙江中环瑞蓝科技发展有限公司 | 2020-11-17 | — | — | CN | claimed |
| EP-3684363-A1 | COCRYSTAL FORMS OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL) METHYL SULFAMATE, FORMULATIONS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2020-07-29 | — | — | EP | claimed |
| CN-111419800-A | Medicinal preparation for treating lupus erythematosus and preparation method thereof | 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 | 2020-07-17 | — | — | CN | claimed |
| CN-111265526-A | Medicine for treating gastric cancer and preparation method thereof | 黑龙江中医药大学 | 2020-06-12 | — | — | CN | claimed |
| WO-2019060536-A1 | COCRYSTAL FORMS OF ((1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL) METHYL SULFAMATE, FORMULATIONS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2019-03-28 | — | — | WO | claimed |
| CN-103570530-B | A kind of preparation method of anidulafungin side chain intermediate | 鲁南新时代生物技术有限公司 | 2016-08-10 | — | — | CN | claimed |
| CN-103570530-A | Preparation method of anidulafungin side chain intermediate | SHANGDONG NEW TIME PHARM PROD | 2014-02-12 | — | — | CN | claimed |
| EP-1630165-B1 | [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF | NIPPON KAYAKU KK (JP) | 2010-03-31 | — | — | EP | claimed |
| CN-101684074-A | Unsymmetrical hydrogen transfer synthetic method of (R)-salmeterol | UNIV SUN YAT SEN | 2010-03-31 | — | — | CN | claimed |
| US-7652139-B2 | Clopidogrel salt and polymorphic forms thereof | SANOFI-AVENTIS (FR) | 2010-01-26 | — | — | US | claimed |
| EP-0197807-A1 | Pyrazolobenzoxazine derivatives, their salts, process and preparation intermediates, use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1986-10-15 | — | — | EP | claimed |
| EP-0059664-B1 | PROCESS FOR THE PREPARATION OF ISOSORBIDE MONONITRATES | SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) | 1984-11-21 | — | — | EP | claimed |
| US-4381400-A | Process for the synthesis of isosorbide mononitrates | SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) | 1983-04-26 | — | — | US | claimed |
| EP-0059664-A1 | Process for the preparation of isosorbide mononitrates | SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) | 1982-09-08 | — | — | EP | claimed |
| US-3998811-A | SEDATIVES, TRANQUILIZERS; AMIDATION, CYCLIZATION, HYDROLYSIS | CRC COMPAGNIA DI RECERCA CHIMICA S.A. (CH) | 1976-12-21 | — | — | US | claimed |