SCHEMBL325401

SCHEMBL325401

CC=CC(C)C#N

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
SCHEMBL325400 1.00
SCHEMBL20416606 1.00
SCHEMBL16938836 0.80
SCHEMBL17616373 0.75
SCHEMBL28246354 0.75 TSHR (0.37)
SCHEMBL269948 0.73
SCHEMBL11298691 0.73
SCHEMBL1435402 0.73
SCHEMBL5367990 0.71
SCHEMBL1003881 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082752-B Separation of solvent from nickel catalyst by distillation 英威达纺织(英国)有限公司 2021-06-15 CN disclosed
US-10759741-B2 Separating a solvent from a nickel catalyst by distillation INVISTA NORTH AMERICA S.A R.L. (US) 2020-09-01 US disclosed
CN-105531257-B Separation of solvent from nickel catalyst by distillation 英威达纺织(英国)有限公司 2019-12-17 CN disclosed
EP-3022172-B1 SEPARATING A SOLVENT FROM A NICKEL CATALYST BY DISTILLATION INVISTA TEXTILES UK LTD (GB) 2018-10-17 EP disclosed
EP-2763960-B1 PROCESS FOR MAKING NITRILES INVISTA TECHNOLOGIES SARL (CH) 2017-03-01 EP disclosed
US-20160168081-A1 SEPARATING A SOLVENT FROM A NICKEL CATALYST BY DISTILLATION INVISTA TECHNOLOGIES S.A R.L. (US) 2016-06-16 US disclosed
EP-3022172-A1 SEPARATING A SOLVENT FROM A NICKEL CATALYST BY DISTILLATION Invista Technologies S.à.r.l. (CH) 2016-05-25 EP disclosed
CN-104011014-B Process for producing nitrile INVISTA TECHNOLOGIES S.A.R.L. (CH) 2016-05-11 CN disclosed
CN-105531257-A Separation of solvent from nickel catalyst by distillation INVISTA TECH SARL 2016-04-27 CN disclosed
CN-103502206-B For the preparation of the method for nitrile INVISTA TECHNOLOGIES S.A.R.L. (CH) 2016-01-13 CN disclosed
EP-1988998-A1 IMPROVED PROCESS FOR PRODUCING NICKEL(0)-PHOSPHORUS LIGAND COMPLEXES BASF SE (DE) 2008-11-12 EP disclosed
US-20080015382-A1 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES INVISTA NORTH AMERICA S.A R.L. (US) 2008-01-17 US disclosed
WO-2008008930-A2 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES INVISTA TECHNOLOGIES S.A R.L. (CH) 2008-01-17 WO disclosed
WO-2008008926-A2 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES INVISTA TECHNOLOGIES, S.A.R.L. (CH) 2008-01-17 WO disclosed
WO-2008008927-A2 HYDROCYANATION OF 2-PENTENENITRILE INVISTA TECHNOLOGIES S.A.R.L. (CH) 2008-01-17 WO disclosed
WO-2007096274-A1 IMPROVED PROCESS FOR PRODUCING NICKEL(0)-PHOSPHORUS LIGAND COMPLEXES BASF SE (DE) 2007-08-30 WO disclosed
EP-1825914-A1 Improved process for the preparation of nickel(0) - phosphorus ligand - complexes BASF AKTIENGESELLSCHAFT (DE) 2007-08-29 EP disclosed
CN-1914161-A Production of 3-pentenenitrile from 1,3-butadiene BASF AG (DE) 2007-02-14 CN disclosed
US-4132611-A Addition of organic electrophiles to carbon acids via catalysis by electrogenerated bases MONSANTO COMPANY (US) 1979-01-02 US disclosed
US-3972944-A BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed