⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL97529 | 0.75 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL28032367 | 0.74 | TSHR (0.83) | — | |
| 1,2-Dichlorobenzene SCHEMBL29350623 | 0.73 | — | — | |
| SCHEMBL5052371 | 0.73 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL1155123 | 0.73 | TSHR (1.00) | — | |
| 1,2-Dichlorobenzene SCHEMBL5190 | 0.73 | — | — | |
| SCHEMBL1860106 | 0.73 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL10593125 | 0.73 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL27395064 | 0.72 | TSHR (0.77) | — | |
| SCHEMBL18142162 | 0.71 | CYP1A2 (0.68) | — |
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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111205239-A | 1,2, 4-oxadiazole-5-imine derivative and synthetic method thereof | 湖北科技学院 | 2020-05-29 | — | — | CN | claimed |
| CN-104418848-A | Preparation method of rivaroxaban | SHANGHAI JINGXIN BIOLOG MEDICAL CO LTD | 2015-03-18 | — | — | CN | claimed |
| CN-104193739-A | Preparation method of rivaroxaban | BEIJING NOVA HOPE MEDICAL TECHNOLOGY CO LTD | 2014-12-10 | — | — | CN | claimed |
| US-20100056545-A1 | NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2010-03-04 | — | — | US | claimed |
| US-7191579-B2 | Shipping device and method for articles capable of releasing gas containing hazardous particulates | 3SI SECURITY SYSTEMS, INC. | 2007-03-20 | — | — | US | claimed |
| US-20040079667-A1 | Shipping device and method for articles capable of releasing gas containing hazardous particulates | 3SI SECURITY SYSTEMS, INC. | 2004-04-29 | — | — | US | claimed |
| WO-2004025598-A1 | SHIPPING DEVICE END METHOD FOR ARTICLES CAPABLE OF RELEASING GAS CONTAINING HAZARDOUS PARTICULATES | 3SI SECURITY SYSTEMS, INC. (US) | 2004-03-25 | — | — | WO | claimed |
| US-4211708-A | ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS | GRUPPO LEPETIT S.P.A. (IT) | 1980-07-08 | — | — | US | claimed |
| US-4198502-A | ANTIINFLAMMATORY AGENT, CNS DEPRESSANTS, ANALGESICS, ANTIPYRETICS, ANTIULCER AGENTS | GRUPPO LEPETIT S.P.A. (IT) | 1980-04-15 | — | — | US | claimed |
| JP-55142332-A | — | — | None | — | — | JP | disclosed |
| JP-58198479-A | — | — | None | — | — | JP | disclosed |
| US-20240228403-A1 | Compositions based on capsaicinoids and/or vanilloids for defensive and/or protective use, associated production and/or projection devices, and methods for producing and preparing such compositions | POULNAIS ERIC (FR) | 2024-07-11 | — | — | US | disclosed |
| EP-4341234-A1 | COMPOSITIONS BASED ON CAPSAICINOIDS AND/OR VANILLOIDS FOR DEFENSE AND/OR PROTECTION PURPOSES, ASSOCIATED PRODUCTION AND/OR SPRAYING DEVICES, AND METHODS FOR PRODUCING AND PREPARING SUCH COMPOSITIONS | Poulnais, Eric (FR) | 2024-03-27 | — | — | EP | disclosed |
| CN-117586118-A | Recovery method of o (p) chlorobenzoic acid as byproduct of o (p) chlorobenzaldehyde | 山东道可化学有限公司 | 2024-02-23 | — | — | CN | disclosed |
| US-4122074-A | MICHAEL ADDITION REACTION, ADHESIVES | UNION CARBIDE CORPORATION (US) | 1978-10-24 | — | — | US | disclosed |
| US-4059607-A | CATALYTIC | UNION CARBIDE CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |
| US-4049797-A | 1-PHENOXY-2-HYDROXY-3-AMINO-PROPANE-SUGAR COMPOUND | CIBA-GEIGY CORPORATION (US) | 1977-09-20 | — | — | US | disclosed |
| US-4036632-A | CONTROLLING WEEDS USING 3-METHYLTHIO-4-AMINO-6-BUTYL-1,2,4 TRIAZINE-5-ONE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-19 | — | — | US | disclosed |
| US-3978041-A | CARDIAC INSUFFICIENCY | CIBA-GEIGY CORPORATION (US) | 1976-08-31 | — | — | US | disclosed |
| US-3966715-A | 1,2,4-TRIAZINE-5-ONES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |