SCHEMBL453353

SCHEMBL453353

CC(C)CC1CC[CH]CC1

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
SCHEMBL7548852 0.91
SCHEMBL7545315 0.87
SCHEMBL7992044 0.84 KDM4E (0.34)
SCHEMBL21085118 0.80 AKR1C3 (0.33)
SCHEMBL21775731 0.80 OPRK1 (0.34)
SCHEMBL2461 0.80
SCHEMBL11191159 0.78
SCHEMBL9978993 0.77
SCHEMBL6520741 0.77
SCHEMBL11836316 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240198582-A1 HYBRID RESIN COMPOSITION FOR THE 3D-PRINTING OF OBJECTS CUBICURE GMBH (AT) 2024-06-20 US claimed
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US claimed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
US-20240198582-A1 HYBRID RESIN COMPOSITION FOR THE 3D-PRINTING OF OBJECTS CUBICURE GMBH (AT) 2024-06-20 US disclosed
WO-2024105509-A1 RESIN COMPOSITION CUBICURE GMBH (AT) 2024-05-23 WO disclosed
EP-4369098-A1 RESIN COMPOSITION Cubicure GmbH (AT) 2024-05-15 EP disclosed
CN-111448180-B Preparation of acetate compounds by ketene compounds 巴斯夫欧洲公司 2023-08-15 CN disclosed
EP-3131888-B1 PRODUCTION OF STARTING MATERIALS CONTAINING 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANES FROM 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANE BASF SE (DE) 2022-08-03 EP disclosed
US-20220008884-A1 CATALYST BED COMPRISING SILVER CATALYST BODIES AND PROCESS FOR THE OXIDATIVE DEHYDROGENATION OF OLEFINICALLY UNSATURATED ALCOHOLS BASF SE (DE) 2022-01-13 US disclosed
US-20220002260-A1 PREPARATION OF 2-SUBSTITUTED 4-METHYL-TETRAHYDROPYRANS FROM 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANS AS STARTING MATERIALS BASF SE (DE) 2022-01-06 US disclosed
EP-3880352-A1 CATALYST BED COMPRISING SILVER CATALYST BODIES AND PROCESS FOR THE OXIDATIVE DEHYDROGENATION OF OLEFINICALLY UNSATURATED ALCOHOLS BASF SE (DE) 2021-09-22 EP disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US disclosed
US-4248870-A MICROBIOCIDES, ANTITUMOR AGENTS, AND ANTIMITOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-03 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0011276-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0010735-A1 Maytansinoids, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-14 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 US disclosed