SCHEMBL214876

SCHEMBL214876

C=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
Cyanide SCHEMBL27742508 0.94
SCHEMBL27482651 0.81 TDP1 (0.31)
SCHEMBL4451292 0.79 ALDH1A1 (0.62)
SCHEMBL5706398 0.78 TSHR (0.68)
SCHEMBL11126210 0.78
SCHEMBL4440379 0.78 TSHR (0.60)
SCHEMBL4440382 0.78 TSHR (0.60)
SCHEMBL11126207 0.78
SCHEMBL27505449 0.73
SCHEMBL15810564 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 1721 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600737-B2 Bidentate phosphite ligands, catalytic compositions containing such ligands, and catalytic processes utilizing such catalytic compositions INV NYLON CHEMICALS AMERICAS, LLC (US) 2026-04-14 US claimed
US-20260035395-A1 BIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS, AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS INV NYLON CHEMICALS AMERICAS LLC (US) 2026-02-05 US claimed
US-20260034540-A1 PROCESSES FOR PRODUCING NITRILES AND PHOSPHORUS-CONTAINING CATALYSTS FOR USE IN SUCH PROCESSES INV NYLON CHEMICALS AMERICAS LLC (US) 2026-02-05 US claimed
EP-4499604-B1 PROCESSES FOR PRODUCING NITRILES AND PHOSPHORUS-CONTAINING CATALYSTS FOR USE IN SUCH PROCESSES INVISTA TEXTILES UK LTD (GB) 2026-01-21 EP claimed
US-20260015318-A1 PROCESSES FOR PRODUCING NITRILES AND PHOSPHORUS-CONTAINING CATALYSTS FOR USE IN SUCH PROCESSES INV NYLON CHEMICALS AMERICAS LLC (US) 2026-01-15 US claimed
US-20260015319-A1 BIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS, AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS INV NYLON CHEMICALS AMERICAS LLC (US) 2026-01-15 US claimed
US-20260014552-A1 BIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS, AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS INVISTA TEXTILES UK LTD (GB) 2026-01-15 US claimed
US-20260014551-A1 ARSENIC-CONTAINING LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS, AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS INV NYLON CHEMICALS AMERICAS LLC (US) 2026-01-15 US claimed
US-20260015370-A1 BIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS, AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS INV NYLON CHEMICALS AMERICAS LLC (US) 2026-01-15 US claimed
US-12521703-B1 Arsenic-containing ligands, catalytic compositions containing such ligands, and catalytic processes utilizing such catalytic compositions INV NYLON CHEMICALS AMERICAS, LLC (US) 2026-01-13 US claimed
US-5502236-A Method for the production of (3-alkoxycarbonyl-2-butenyl)triphenylphosphonium salts HOFFMANN-LA ROCHE INC. (US) 1996-03-26 US claimed
US-5486643-A Isomerization of 2-methyl-3-butenenitrile RHONE-POULENC CHIMIE (FR) 1996-01-23 US claimed
EP-0673945-A1 Preparation of an ester salt of wittig F. HOFFMANN-LA ROCHE AG (CH) 1995-09-27 EP claimed
US-5440067-A Controlled heating of unsaturated alkyl nitrile with supported catalyst containing zero-valent nickel and bidentate phosphite E. I. DUPONT DE NEMOURS AND COMPANY (US) 1995-08-08 US claimed
US-4680357-A ADHESIVES THE DOW CHEMICAL COMPANY (US) 1987-07-14 US claimed
EP-0110329-B1 PROCESS FOR THE PRODUCTION OF ALPHA-VINYL PROPIONIC ACID ESTERS BASF Aktiengesellschaft (DE) 1986-02-19 EP claimed
EP-0110329-A1 Process for the production of alpha-vinyl propionic acid esters BASF Aktiengesellschaft (DE) 1984-06-13 EP claimed
US-4298546-A CATALYTIC, TO LINEAR PENTENENITRILE IN PRESENCE OF BUTADIENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-03 US claimed
WO-1979000193-A1 ORGANIC NITRILES ICI LTD (GB) 1979-04-19 WO claimed
EP-0001506-A1 Process for the production of organic nitriles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-04-18 EP claimed