SCHEMBL4593

SCHEMBL4593

CC[CH]N1CCNCC1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4719056 0.85
SCHEMBL1582806 0.80 GNAI3 (0.34)
SCHEMBL1448833 0.80
SCHEMBL3060500 0.77 GNAO1 (0.40)
SCHEMBL27802233 0.75 OPRD1 (0.36)
SCHEMBL8207554 0.75 GNAO1 (0.43)
SCHEMBL1448212 0.75
SCHEMBL11715 0.75
SCHEMBL1448231 0.72 ALDH1A1 (0.32)
SCHEMBL450230 0.72

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 873 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117887077-A Water-repellent and oil-repellent fabric finishing agent, emulsion and preparation method thereof 山东东岳高分子材料有限公司 2024-04-16 CN claimed
EP-3750894-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2024-04-03 EP claimed
EP-3590941-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP claimed
CN-114763438-B Organosilicon curing formula, curing method and silicone rubber prepared from organosilicon curing formula 万华化学集团股份有限公司 2023-08-11 CN claimed
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP claimed
WO-2022256299-A1 7-MORPHOLINO-5-(3-PHENYL-1 H-PYRAZOL-1 -YL)-FURO[3,2-B]PYRIDINE DERIVATIVES AND SIMILAR COMPOUNDS AS PIKFYVE KINASE INHIBITORS FOR THE TREATMENT OF E.G. AMYOTROPHIC LATERAL SCLEROSIS (ALS) Verge Analytics, Inc. (US) 2022-12-08 WO claimed
CN-114763438-A Organosilicon curing formula, curing method and silicone rubber prepared from organosilicon curing formula 万华化学集团股份有限公司 2022-07-19 CN claimed
US-11083710-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2021-08-10 US claimed
CN-112898286-A Benzothiophene compound or pharmaceutically acceptable salt and isomer thereof, and preparation method, pharmaceutical composition and application thereof 中国药科大学 2021-06-04 CN claimed
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-04-20 US claimed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US claimed
EP-1439841-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-07-28 EP claimed
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US claimed
WO-2003034987-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-05-01 WO claimed
US-5707985-A Naphthyl-, quinolyl- and isoquinolyl- sulfonamide derivatives as cell adhesion modulators TANABE SEIYAKU CO. LTD. (JP) 1998-01-13 US claimed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US claimed
EP-0251905-B1 Esters of alginic acid FIDIA SPA (IT) 1994-11-02 EP claimed
EP-0609968-A2 Compositions comprising partial esters of alginic acid FIDIA S.p.A. (IT) 1994-08-10 EP claimed
EP-0251905-A2 Esters of alginic acid FIDIA S.p.A. (IT) 1988-01-07 EP claimed
US-4410536-A 7,8,9,10-Tetrahydrothieno[3,2-e]pyrido[4,3-b]indole compounds and their anti-depressant use TROPONWERKE GMBH & CO. K.G. (DE) 1983-10-18 US claimed