SCHEMBL45854

SCHEMBL45854

CCc1ccc(CC)s1

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
SCHEMBL2969315 0.86
SCHEMBL2042417 0.86
SCHEMBL4858238 0.86
SCHEMBL9769109 0.86
SCHEMBL14241959 0.86
SCHEMBL10175255 0.86 ALDH1A1 (0.36)
SCHEMBL4047711 0.86
SCHEMBL13621245 0.84 DPP4 (0.41)
SCHEMBL96145 0.82
SCHEMBL20814635 0.82 DPP4 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428202-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2019-01-16 EP claimed
US-9611348-B2 Process of producing polyolefins using metallocene polymerization catalysts and copolymers therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-04-04 US claimed
EP-2984111-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2016-02-17 EP claimed
US-20140316085-A1 Process of Producing Polyolefins Using Metallocene Polymerization Catalysts and Copolymers Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2014-10-23 US claimed
WO-2014169017-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-16 WO claimed
US-4169839-A REACTING 3-BROMOTHIOPHENE COMPOUND WITH COPPER IODIDE IN APROTIC SOLVENT OCE-ANDENO B.V. (NL) 1979-10-02 US claimed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230142338-A1 THIOPHENYL DERIVATIVES USEFUL FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC. 2023-05-11 US disclosed
WO-2023079362-A1 PROCESSABLE COMPOSITIONS AND USE FOR THE SAME RIPPLE THERAPEUTICS CORPORATION (CA) 2023-05-11 WO disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
US-5750720-A ALPHA-ADRENORECEPTORS AND CENTRAL NERVOUS SYSTEMS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-12 US disclosed
WO-1997035858-A1 4-[(THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING α2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 WO disclosed
US-5126461-A Silica in organic solution SHELL RESEARCH LIMITED (GB) 1992-06-30 US disclosed
US-5120861-A DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS SHELL RESEARCH LIMITED (GB) 1992-06-09 US disclosed
EP-0432817-A1 Diazirine derivatives of aromatic heterocyclic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-06-19 EP disclosed
EP-0432818-A2 Process for opening cyclopropane rings SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-06-19 EP disclosed
US-4010217-A NITROSYL MOLYBDENUM OR TUNGSTEN COORDINATION CATALYST, ORGANOALUMINUM ADJUVANT PHILLIPS PETROLEUM COMPANY (US) 1977-03-01 US disclosed