SCHEMBL180857

SCHEMBL180857

COC(=O)CC#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
Methane SCHEMBL28190838 0.97 MCL1 (0.48)
Methane SCHEMBL28190144 0.97
SCHEMBL29285367 0.97
SCHEMBL5357381 0.97
Acetic Acid SCHEMBL28194469 0.93 MCL1 (0.44)
SCHEMBL27864116 0.93 MCL1 (0.44)
Alcohol SCHEMBL27744918 0.93 MCL1 (0.46)
SCHEMBL28158885 0.93 MCL1 (0.44)
SCHEMBL4185594 0.91 MCL1 (0.45)
SCHEMBL28027321 0.89 GAA (0.65)

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

Appears in 5669 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037172-A Novel bio-based polyamide and preparation method thereof 四川大学 2026-05-15 CN claimed
EP-3177653-B2 PROCESS FOR MANUFACTURING ETHYLENE POLYMERS AND USING MODIFIERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2026-01-21 EP claimed
US-20250346555-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE HUNAN XIANGZHONG PHARMACEUTICAL CO LTD (CN) 2025-11-13 US claimed
EP-4642651-A1 PHOSPHINE OXIDE-BASED PHOTOINITIATORS ARKEMA France (FR) 2025-11-05 EP claimed
US-12351540-B2 Process for preparing cyanoacetates HENKEL AG & CO. KGAA (DE) 2025-07-08 US claimed
US-12351541-B2 Process for preparing cyanoacetates HENKEL AG & CO. KGAA (DE) 2025-07-08 US claimed
CN-120192272-A Preparation method of benzoxazole intermediate 帕潘纳(北京)科技有限公司 2025-06-24 CN claimed
WO-2025125082-A1 POLYMERIZABLE PHOSPHINE OXIDE-BASED PHOTOINITIATORS ARKEMA FRANCE (FR) 2025-06-19 WO claimed
EP-4570811-A1 POLYMERIZABLE PHOSPHINE OXIDE-BASED PHOTOINITIATORS ARKEMA FRANCE (FR) 2025-06-18 EP claimed
CN-120136757-A Synthesis method of 6-hydroxy-2-azaspiro [3.3] heptane compounds 浙江中科创越药业有限公司 2025-06-13 CN claimed
US-4619786-A DIAZOTIZING, NITROSATING, THEN BROMINATING GIST-BROCADES N.V. (NL) 1986-10-28 US claimed
US-4567004-A Process for the preparation of monomethyl-substituted methylene compounds BAYER AKTIENGESELLSCHAFT (DE) 1986-01-28 US claimed
EP-0045414-B1 PROCESS FOR THE PREPARATION OF 3-AMINO-1-PHENYL-PYRAZOL-5-ONE HOECHST AKTIENGESELLSCHAFT (DE) 1984-01-25 EP claimed
EP-0093465-A2 Preparation of 6-alpha-bromo- and/or 6,6-dibromo-penicillanic acid 1,1-dioxides GIST-BROCADES N.V. (NL) 1983-11-09 EP claimed
US-4410707-A PHENYLHYDRAZINE, ALKYL CYANOACETATE, ALKALI METAL HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-18 US claimed
EP-0029567-B1 PREPARATION OF CYANOACETAMIDE AND 2,2-DIBROMO-3-NITRILOPROPIONAMIDE COMPOSITIONS THE DOW CHEMICAL COMPANY (US) 1983-03-23 EP claimed
US-4307034-A ALKYLATION IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-12-22 US claimed
EP-0029567-A1 Preparation of cyanoacetamide and 2,2-dibromo-3-nitrilopropionamide compositions THE DOW CHEMICAL COMPANY (US) 1981-06-03 EP claimed
US-4233250-A Process for synthesizing the alkali metal salts of dinetromethane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-11-11 US claimed
US-4080424-A ABSORBING CARBON DIOXIDE AND HYDROGEN SULFIDE USING A SOLVENT INSTITUTE OF GAS TECHNOLOGY (US) 1978-03-21 US claimed