SCHEMBL42723

SCHEMBL42723

CC1(C)C[CH]CC(C)(C)C1

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
SCHEMBL12273503 1.00
SCHEMBL283341 0.88
SCHEMBL10772784 0.81
SCHEMBL5246590 0.78
SCHEMBL9154492 0.78
SCHEMBL8749575 0.76
SCHEMBL1065839 0.74 KDM4E (0.30)
SCHEMBL989185 0.73
SCHEMBL9861119 0.71
SCHEMBL9861125 0.69 GRIN2D (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116855-A1 COMPOUNDS HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI ISAGRO S.P.A. (IT) 2024-04-11 US claimed
EP-4162799-A1 COMPOUNDS HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI ISAGRO S.p.A. (IT) 2023-04-12 EP claimed
CN-109195966-B Microbiocidal thiazole derivatives 先正达参股股份有限公司 2022-09-16 CN claimed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP claimed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US claimed
EP-2277869-A1 Cycloalkylamidbenzoxa(thia)zoles as fungicides Bayer CropScience AG (DE) 2011-01-26 EP claimed
WO-2010149309-A2 CYCLOALKYLAMIDOBENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO claimed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US claimed
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 US claimed
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 US claimed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US claimed
EP-0669935-B1 COMPOUNDS USEFUL AS SWEETENING AGENTS AND PROCESS FOR THEIR PREPARATION NOFRE CLAUDE (FR) 1996-06-05 EP claimed
US-5480668-A N-substituted derivatives of aspartame useful as sweetening agents NOFRE CLAUDE (FR) 1996-01-02 US claimed
EP-0669935-A1 COMPOUNDS USEFUL AS SWEETENING AGENTS AND PROCESS FOR THEIR PREPARATION. NOFRE CLAUDE (FR) 1995-09-06 EP claimed
EP-0309913-B1 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF AG (DE) 1994-06-15 EP claimed
WO-1994011391-A1 COMPOUNDS USEFUL AS SWEETENING AGENTS AND PROCESS FOR THEIR PREPARATION NOFRE CLAUDE (FR) 1994-05-26 WO claimed
US-5068245-A For treatment of plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US claimed
EP-0309913-A2 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF Aktiengesellschaft (DE) 1989-04-05 EP claimed
EP-0174956-A1 SOFT -g(b)-ADRENERGIC BLOCKING AGENTS. BODOR NICHOLAS S 1986-03-26 EP claimed
WO-1985004168-A1 SOFT beta-ADRENERGIC BLOCKING AGENTS BODOR NICHOLAS S 1985-09-26 WO claimed