⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11429318 | 0.74 | — | — | |
| Tetrahydrofuran SCHEMBL7781544 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL2877 | 0.71 | — | — | |
| SCHEMBL8049923 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL28995712 | 0.67 | — | — | |
| SCHEMBL23235576 | 0.67 | — | — | |
| SCHEMBL6671938 | 0.67 | — | — | |
| SCHEMBL8049921 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL19222688 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL271145 | 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
Appears in 3183 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024145306-A1 | INTERMEDIATE SALT FOR THE PREPARATION OF BIS(FLUOROALKYL) BENZODIAZEPINONE COMPOUNDS | AYALA PHARMACEUTICALS INC. (US) | 2024-07-04 | — | — | WO | claimed |
| CN-113943322-A | Azepilazphosphine ligand and preparation method and application thereof | 复旦大学 | 2022-01-18 | — | — | CN | claimed |
| EP-3303281-B1 | PHYSIOLOGICAL COOLING COMPOUNDS | SYMRISE INC (US) | 2021-12-29 | — | — | EP | claimed |
| CN-108727459-B | Tripterine aptamer conjugate and preparation method and application thereof | 北京和理咨询有限公司 | 2021-05-04 | — | — | CN | claimed |
| US-10981862-B2 | Physiological cooling compounds | SYMRISE, INC. (US) | 2021-04-20 | — | — | US | claimed |
| CN-112480013-A | 3, 4-dihydropyrimidine benzonitrile derivative, and preparation method and application thereof | 湖南千金湘江药业股份有限公司 | 2021-03-12 | — | — | CN | claimed |
| WO-2020253711-A1 | PYRROLOPYRIDONE COMPOUND, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-24 | — | — | WO | claimed |
| CN-108409740-B | Preparation method of Aidallas | 盐城师范学院 | 2020-05-08 | — | — | CN | claimed |
| CN-110437215-A | A kind of preparation method of emtricitabine | WUHAN INST TECHNOLOGY | 2019-11-12 | — | — | CN | claimed |
| CN-107641119-B | Monocycle beta-lactam-siderophore conjugates and its preparation method and application | 中国科学院上海药物研究所 | 2019-11-08 | — | — | CN | claimed |
| EP-1205116-A2 | Oral sensory perception-affecting compositions containing dimethyl sulfoxide | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2002-05-15 | — | — | EP | claimed |
| US-6365215-B1 | A MENTHYL COMPOUND, A VANILLYL COMPOUND, A CARBOXAMIDE COMPOUND, | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-04-02 | — | — | US | claimed |
| US-6228957-B1 | EFFICIENT ETHYLENE POLYMERIZATION CATALYZED BY MIXTURE OF ZIEGLER-NATTA CATALYST, TRIMETHYLALUMINUM, AND AN ETHER-CONTAINING EXTERNAL ELECTRON DONOR COMPOUND | EASTMAN CHEMICAL COMPANY | 2001-05-08 | — | — | US | claimed |
| EP-1027339-A1 | METHOD AND REAGENTS FOR N-ALKYLATING UREIDES | TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) | 2000-08-16 | — | — | EP | claimed |
| CN-1049436-C | Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same | LUCKY LTD (KR) | 2000-02-16 | — | — | CN | claimed |
| WO-1999018084-A1 | METHOD AND REAGENTS FOR N-ALKYLATING UREIDES | TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) | 1999-04-15 | — | — | WO | claimed |
| CN-1104640-A | Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same | LUCKY LTD (KR) | 1995-07-05 | — | — | CN | claimed |
| EP-0567637-A1 | BIS(PERFLUOROSULPHONYL)METHANES, PROCESS FOR PREPARING SAME AND USES THEREOF | Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1993-11-03 | — | — | EP | claimed |
| WO-1993009092-A1 | BIS(PERFLUOROSULPHONYL)METHANES, PROCESS FOR PREPARING SAME AND USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1993-05-13 | — | — | WO | claimed |
| US-4197408-A | COPPER COMPLEX CATALYST, 2,5-DIMETHYL-2,4-HEXADIEN) REACTED WITH DIAZOACETATE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-04-08 | — | — | US | claimed |