SCHEMBL2778360

SCHEMBL2778360

[CH2]COC(CC)CCC

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
SCHEMBL4870171 0.85 OPRM1 (0.37)
SCHEMBL6437566 0.83 LMNA (0.38)
SCHEMBL6435200 0.83 LMNA (0.38)
SCHEMBL6434337 0.83 LMNA (0.38)
SCHEMBL6434456 0.83 LMNA (0.38)
SCHEMBL6437435 0.83 LMNA (0.38)
SCHEMBL127490 0.83
SCHEMBL17048778 0.80 DNM1 (0.30)
SCHEMBL6435198 0.80 OPRM1 (0.37)
SCHEMBL6438334 0.80 DNM1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
EP-2132167-B1 METHOD FOR THE PRODUCTION OF beta-KETONITRILES BASF SE (DE) 2013-12-25 EP disclosed
US-8501748-B2 Method for the production of β-ketonitriles BASF SE (DE) 2013-08-06 US disclosed
CN-101523292-B Method for manufacturing semiconductor device using quadruple-layer laminate NISSAN CHEMICAL IND LTD 2013-04-10 CN disclosed
EP-2085823-B1 METHOD FOR MANUFACTURING SEMICONDUCTOR DEVICE USING QUADRUPLE-LAYER LAMINATE NISSAN CHEMICAL IND LTD (JP) 2013-01-16 EP disclosed
US-20130005970-A1 Method for the production of beta-ketonitriles BASF SE (DE) 2013-01-03 US disclosed
WO-1994011344-A1 SUBSTITUTED 3,4,5,6-TETRAHYDROPHTHALIMIDES FOR USE AS HERBICIDES AND/OR DEFOLIANTS OR DESICCANTS BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed
US-4431655-A BACTERICIDES; FUNGICIDES; ALGICIDES; SLIMICIDES; ANTISEPTICS MERCK & CO., INC. (US) 1984-02-14 US disclosed
US-4390548-A Trans-Δ2 -pge alkylsulphonyl amides ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-28 US disclosed
US-4367237-A THIOPGI-1 DERIVATIVES; OXYTOCICS; PREFERENTIAL ONO PHARMACEUTICAL CO., LTD. (JP) 1983-01-04 US disclosed
US-4362877-A BACTERICIDES, FUNGICIDES MERCK & CO., INC. (US) 1982-12-07 US disclosed
US-4351846-A 3-Hydroxy and 3-oxo-prostaglandin analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1982-09-28 US disclosed
US-4284581-A LITHIUM 1,1'-BINAPHTHYL-2,2'-DIOXYALUMINUM HYDRIDE, REDUCING AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4198429-A BRONCHOSPASMOLYTIC HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed