SCHEMBL11062389

SCHEMBL11062389

CC1(C)CC(=O)OC1C=C(Cl)Cl

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
SCHEMBL11616634 0.87
SCHEMBL11616632 0.87
SCHEMBL11064009 0.83
SCHEMBL11064608 0.83
SCHEMBL3870701 0.80 APEX1 (0.33)
SCHEMBL10708826 0.78 SMN1; SMN2 (0.31)
SCHEMBL701380 0.75 ALDH1A1 (0.32)
Bromide SCHEMBL11228885 0.73
Hydrochloric Acid SCHEMBL11161524 0.73
SCHEMBL3062687 0.71 LMNA (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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52057163-A None JP disclosed
JP-52100463-A None JP disclosed
JP-52083734-A None JP disclosed
US-4468521-A Method of producing gamma-halogeno-delta unsaturated carboxylic acid esters KURARAY CO., LTD. (JP) 1984-08-28 US disclosed
US-4458090-A RECYCLING LACTONE BY-PRODUCT KURARAY CO., LTD. (JP) 1984-07-03 US disclosed
US-4409238-A Insecticides and insecticidal compositions KURARAY CO., LTD. (JP) 1983-10-11 US disclosed
EP-0025931-B1 PROCESS FOR THE PREPARATION OF 5-(2,2-DIHALOGENVINYL)-4,4-DIALKYL-TETRAHYDROFURAN-2-ONES BASF Aktiengesellschaft (DE) 1983-03-09 EP disclosed
EP-0025935-B1 PROCESS FOR THE PREPARATION OF 5-(2,2,2,-TRIHALOGEN-ETHYL)-DIALKYL-TETRAHYDROFURAN-2-ONES BASF Aktiengesellschaft (DE) 1982-12-22 EP disclosed
US-4324725-A Preparation of 5-(2,2-dihalovinyl)-4,4-dialkyl-tetrahydro-furan-2-ones BASF AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed
US-4310464-A Lactones IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-01-12 US disclosed
EP-0025935-A1 Process for the preparation of 5-(2,2,2,-trihalogen-ethyl)-dialkyl-tetrahydrofuran-2-ones BASF Aktiengesellschaft (DE) 1981-04-01 EP disclosed
US-4225704-A Preparation of halogenovinyl-substituted tetra-hydrofuran-2-ones BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4195033-A 1-Acetyl or 1-cyano-2(2,2-dichlorovinyl)-3,3-dimethyl cyclopropane IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-03-25 US disclosed
EP-0005472-A2 Process for the preparation of substituted gamma-halogen carboxylic acid esters BAYER AG (DE) 1979-11-28 EP disclosed
EP-0001089-A1 Process for the preparation of halogenovinyl-substituted 2-tetrahydrofuranones, selected halogenovinyl-substituted 2-tetrahydrofuranones BAYER AG (DE) 1979-03-21 EP disclosed
US-4102896-A Preparation of a 5-(2,2-dihalovinyl)-4,4-dimethyl-2-oxotetrahydrofuran IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-07-25 US disclosed
US-4083855-A Method for producing a γ-lactone SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-04-11 US disclosed
JP-S52100463-A GAMMA-LACTONE AND METHOD OF PREPARING SAME SUMITOMO CHEM CO LTD 1977-08-23 JP disclosed
JP-S5283734-A GAMMA-LACTONE DERIVATIVES AND PREPARATION THEREOF KURARAY CO LTD 1977-07-12 JP disclosed
JP-S5257163-A PROCESS FOR PREPARING GAMMA-LACTONES KURARAY CO LTD 1977-05-11 JP disclosed