SCHEMBL459819

SCHEMBL459819

[CH2]CC(O)C(=O)CC

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
SCHEMBL7019853 0.79
SCHEMBL5635657 0.79
SCHEMBL15196065 0.77
SCHEMBL10141472 0.77
SCHEMBL108041 0.77
SCHEMBL6162908 0.74
SCHEMBL14519909 0.74
Hydrochloric Acid SCHEMBL30373831 0.74
SCHEMBL3679452 0.74
Water SCHEMBL28805570 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615634-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
EP-3630922-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-11-16 EP disclosed
US-10899852-B2 Benzil monoketals and the use thereof MERCK PATENT GMBH (DE) 2021-01-26 US disclosed
EP-3365318-B1 BENZYL MONOKETALS AND USE THEREOF MERCK PATENT GMBH (DE) 2021-01-06 EP disclosed
EP-3697768-A1 DIBENZOFURANS AND DIBENZOTHIOPHENES Merck Patent GmbH (DE) 2020-08-26 EP disclosed
US-20200247916-A1 BENZIL MONOKETALS AND THE USE THEREOF MERCK PATENT GMBH (DE) 2020-08-06 US disclosed
EP-3368636-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-04-29 EP disclosed
EP-3630922-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-04-08 EP disclosed
EP-3615634-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-03-04 EP disclosed
WO-2019076852-A1 DIBENZOFURANS AND DIBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2019-04-25 WO disclosed
WO-2003011815-A1 BICYCLIC HETEROAROMATIC ALANINES CELLTECH R & D LIMITED (GB) 2003-02-13 WO disclosed
EP-1248826-A2 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GmbH (DE) 2002-10-16 EP disclosed
US-20020137935-A1 3-Substituted 2,7-naphthyridin-1-yl derivatives CELLTECH R&D LIMITED (GB) 2002-09-26 US disclosed
WO-2002042264-A1 3-SUBSTITUTED 2,7-NAPHTHYRIDIN-1-YL DERIVATIVES CELLTECH R & D LIMITED (GB) 2002-05-30 WO disclosed
US-6326066-B1 CHEMICAL STABILITY, LOW VISCOSITY, HIGH DIELECTRIC ANISOTROPY, ULTRAVIOLET AND TEMPERATURE STABILITY; USED IN ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT RESCHANKTER HAFTUNG (DE) 2001-12-04 US disclosed
WO-2001046336-A2 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2001-06-28 WO disclosed
EP-0612319-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
WO-1994004525-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-03 WO disclosed
EP-0325246-A2 Dioxazine blue dye compounds having vinylsulfone type fiber reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-07-26 EP disclosed
EP-0239847-A1 A monoazo compound having vinylsulfone type fiber reactive group through a substituted triazinyl bridging group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed