SCHEMBL166474

SCHEMBL166474

COC(=O)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
Acetic Acid SCHEMBL8999419 0.91 ALDH1A1 (0.40)
Acetic Acid Methyl Ester SCHEMBL28972032 0.91 ALDH1A1 (0.56)
SCHEMBL6007200 0.75
SCHEMBL23060518 0.73
SCHEMBL2125856 0.72
SCHEMBL5489369 0.72
SCHEMBL25706 0.72 ALDH1A1 (0.44)
SCHEMBL8694673 0.71
SCHEMBL7474646 0.69
SCHEMBL15873629 0.69

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 1099 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283772-B Compound with cyclobutene structure and preparation method and application thereof 华南理工大学 2024-09-03 CN claimed
CN-116283772-A Compound with cyclobutene structure and preparation method and application thereof 华南理工大学 2023-06-23 CN claimed
CN-112457164-B Method for synthesizing parithenol 南方科技大学 2023-01-03 CN claimed
CN-111675625-B Method for catalytic synthesis of tetrazoleacetic acid 九江中星医药化工有限公司 2022-11-04 CN claimed
CN-115109374-A High-strength flame-retardant acrylic plate 安徽迈明亚克力科技有限公司 2022-09-27 CN claimed
CN-114516824-A Thioamide carboxylic ester and synthetic method thereof 广州佳途科技股份有限公司 2022-05-20 CN claimed
CN-112831145-A High-strength high-light-transmittance acrylic plate and preparation method thereof 江西欧丽达实业有限公司 2021-05-25 CN claimed
CN-112266436-A High-transparency high-strength acrylic plate and preparation method thereof 苏州西雅克水族科技有限公司 2021-01-26 CN claimed
CN-112250788-A Method for preparing acrylic thick plate by water bath cooling 苏州西雅克水族科技有限公司 2021-01-22 CN claimed
CN-112223794-A Bending and shaping method for acrylic thick plate 苏州西雅克水族科技有限公司 2021-01-15 CN claimed
EP-1709039-A1 METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS Lanxess Deutschland GmbH (DE) 2006-10-11 EP claimed
US-6983801-B2 Well treatment fluid compositions and methods for their use BJ SERVICES COMPANY (US) 2006-01-10 US claimed
WO-2005068459-A1 METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2005-07-28 WO claimed
US-20050016733-A1 Well treatment fluid compositions and methods for their use COMBINED SYSTEMS, INC. 2005-01-27 US claimed
US-20020125012-A1 Well treatment fluid compositions and methods for their use BJ SERVICES COMPANY 2002-09-12 US claimed
WO-2002055843-A1 WELL TREATMENT FLUID COMPOSITIONS AND METHODS FOR THEIR USE BJ SERVICES COMPANY (US) 2002-07-18 WO claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
WO-1997003977-A1 THIOPYRANS MICROBICIDES NOVARTIS AG (CH) 1997-02-06 WO claimed