SCHEMBL57648

SCHEMBL57648

CC(C)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
Hydrazine SCHEMBL29123874 0.93 TSHR (0.39)
Benzene SCHEMBL9276657 0.90 TSHR (0.38)
Boric Acid SCHEMBL27917265 0.87 TSHR (0.36)
Ammonia Solution, Strong SCHEMBL3941360 0.85 TSHR (0.35)
SCHEMBL28141086 0.81 TSHR (0.32)
SCHEMBL28141084 0.81 TSHR (0.32)
SCHEMBL1345692 0.80
SCHEMBL10381398 0.77 TSHR (0.43)
Acetonitrile SCHEMBL28107138 0.77 TSHR (0.44)
SCHEMBL28417782 0.74 TSHR (0.36)

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 5661 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12620595-B2 Increased capacity battery cell using reservoir replenishing additives SOUTH 8 TECHNOLOGIES, INC. (US) 2026-05-05 US claimed
US-12576429-B2 Method of wetting low surface energy substrate and a system therefor W. L. GORE & ASSOCIATES, INC. (US) 2026-03-17 US claimed
US-20260051512-A1 Increased Capacity Battery Cell Using Reservoir Replenishing Additives SOUTH 8 TECH INC (US) 2026-02-19 US claimed
WO-2025230533-A1 APPARATUS AND METHOD OF LIQUEFIED GAS ELECTROLYTE PREPARATION SOUTH 8 TECHNOLOGIES, INC. (US) 2025-11-06 WO claimed
US-12435411-B2 Metal organonitrile precursors for thin film deposition APPLIED MATERIALS, INC. (US) 2025-10-07 US claimed
EP-4600285-A1 FOAMABLE POLYURETHANE COMPOSITION COMPRISING A NITRILE Henkel AG & Co. KGaA (DE) 2025-08-13 EP claimed
EP-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP claimed
CN-119771391-A Solid super-base catalyst, preparation method thereof and nitrile hydrolysis esterification method 中国天辰工程有限公司 2025-04-08 CN claimed
CN-119361825-A Low-temperature electrolyte added with folic acid and lithium battery 湖南合一能源科技有限公司 2025-01-24 CN claimed
CN-115413278-B Pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2025-01-10 CN claimed
US-6211389-B1 TREATING SPECIFICALLY DEFINED COMBINATIONS COMPRISING AN EPOXY RESIN STARTING MATERIAL AND OTHER COMPONENTS TO ORGANIC SOLVENT, A CROWN ETHER, AND A SUITABLE BASE TO CONDITIONS SUFFICIENT TO PRODUCE A TREATED EPOXY COMPOUND DEXTER CORPORATION 2001-04-03 US claimed
US-6153742-A SOLID PHASE SYNTHESIS PRODUCING ANTISENSE OLIGONUCLEOTIDES UNIVERSITY OF BARCELONA (ES) 2000-11-28 US claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
US-5830693-A DNA SEQUENCE NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-11-03 US claimed
EP-0759474-A2 A regulatory factor involved in expression of nitrilase gene, and its gene Shimizu, Sakayu (JP) 1997-02-26 EP claimed
US-5334519-A Hydration of nitrile with nitrile hydratase obtained from culturing Rhodococcus in presence of cobalt ions NITTO KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-08-02 US claimed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US claimed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US claimed
CN-85100015-A By 3-dimethylamino propionitrile Synthetic 2 .4.5.6.-tetrachloro-pyrimidine novel process 1985-11-10 CN claimed
US-3939192-A INSECTICIDE, MITICIDE, FUNGICIDE, BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US claimed