⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21440419 | 0.93 | IDO1 (0.32) | — | |
| SCHEMBL19135900 | 0.76 | — | — | |
| Formaldehyde SCHEMBL27513797 | 0.74 | MAOA (0.33) | — | |
| SCHEMBL14256585 | 0.74 | — | — | |
| SCHEMBL113494 | 0.73 | — | — | |
| SCHEMBL30715500 | 0.70 | — | — | |
| SCHEMBL9149406 | 0.70 | — | — | |
| Potassium SCHEMBL30715495 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL8627775 | 0.70 | MAOA (0.36) | — | |
| Water SCHEMBL27949772 | 0.70 | — | — |
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 178 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115043850-B | Method for synthesizing chiral oxygen-containing octatomic ring compound through palladium-catalyzed asymmetric allyl cycloaddition reaction | 山东大学 | 2024-02-02 | — | — | CN | claimed |
| CN-114989132-B | Method for synthesizing spiro compounds through lithium iodide catalysis | 山东大学苏州研究院 | 2023-09-26 | — | — | CN | claimed |
| CN-115043850-A | Method for synthesizing chiral oxygen-containing eight-membered ring compound through palladium-catalyzed asymmetric allylic cycloaddition reaction | 山东大学 | 2022-09-13 | — | — | CN | claimed |
| CN-114989132-A | Method for synthesizing spiro compound through lithium iodide catalysis | 山东大学苏州研究院 | 2022-09-02 | — | — | CN | claimed |
| CN-113583015-A | Method for synthesizing chiral oxygen-containing eight-membered ring compound through palladium-catalyzed asymmetric allylic cycloaddition reaction | 山东大学 | 2021-11-02 | — | — | CN | claimed |
| US-9643947-B2 | 7-membered fused heterocycles and methods of their synthesis | NORTHWESTERN UNIVERSITY (US) | 2017-05-09 | — | — | US | claimed |
| US-9090542-B2 | Methods for labeling a substrate using a hetero-diels-alder reaction | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2015-07-28 | — | — | US | claimed |
| US-20130281656-A1 | METHODS FOR LABELING A SUBSTRATE HAVING A PLURALITY OF THIOL GROUPS ATTACHED THERETO | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. BOYD GRADUATE STUDIES RESEARCH CENTER (US) | 2013-10-24 | — | — | US | claimed |
| US-20110257047-A1 | Methods for Labeling a Substrate Using a Hetero-Diels-Alder Reaction | NATIONAL SCIENCE FOUNDATION | 2011-10-20 | — | — | US | claimed |
| US-20110108411-A1 | METHODS FOR LABELING A SUBSTRATE USING A HETERO-DIELS-ALDER REACTION | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. | 2011-05-12 | — | — | US | claimed |
| US-5006223-A | Thermal cracking like fluid coking of feed stock to low boiling | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-04-09 | — | — | US | claimed |
| CN-117924305-B | Chiral benzooctone compound and synthetic method and application thereof | 济南市中心医院 | 2025-02-28 | — | — | CN | disclosed |
| US-20250027127-A1 | CANNABINOID PRODUCTION IN BACTERIA | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2025-01-23 | — | — | US | disclosed |
| US-20240240359-A1 | BIOCATALYTIC PLATFORM FOR CHEMICAL SYNTHESIS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2024-07-18 | — | — | US | disclosed |
| CN-118265694-A | Novel amine-N-oxide compounds | 卡尔弗朗茨格拉茨大学 | 2024-06-28 | — | — | CN | disclosed |
| US-6020504-A | Process for the preparation of chroman derivatives | LONZA AG (CH) | 2000-02-01 | — | — | US | disclosed |
| US-5831073-A | Ion triggered alkylation of biological targets by silyloxy aromatic agents | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1998-11-03 | — | — | US | disclosed |
| CN-1177596-A | Benzodihydropyran assorbic acid derivatives, their preparation and use | BASF AG (DE) | 1998-04-01 | — | — | CN | disclosed |
| US-5493012-A | Ion triggered alkylation of biological targets by silyloxy aromatic agents | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1996-02-20 | — | — | US | disclosed |
| US-5006223-A | Thermal cracking like fluid coking of feed stock to low boiling | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-04-09 | — | — | US | disclosed |