SCHEMBL522616

SCHEMBL522616

CCC1(N)C=CC=CC1

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
SCHEMBL295659 1.00
Hydrochloric Acid SCHEMBL28198127 0.98
Hydrochloric Acid SCHEMBL6986442 0.98
Iodide SCHEMBL29069910 0.98
Acetic Acid SCHEMBL28084604 0.88
Propionic Acid SCHEMBL28130761 0.87 FFAR3 (0.36)
Trifluoromethanesulfonic Acid SCHEMBL28351575 0.81
Levulinic Acid SCHEMBL28963776 0.80 LMNA (0.42)
SCHEMBL11762677 0.79
SCHEMBL9435750 0.76

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 1035 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136773-A Preparation method of 3, 5-difluoropiperidine and derivatives thereof 艾琪康医药科技(上海)有限公司 2025-06-13 CN claimed
CN-119656869-A Method for realizing diastereomeric crystallization mother liquor regeneration and reuse of amine chiral compound by utilizing unconventional electrodialysis 湖南科技大学 2025-03-21 CN claimed
CN-118908851-A Dual-wavelength excited Schiff base optical switch material, photochromic material, preparation method and application thereof 安徽省东超科技有限公司 2024-11-08 CN claimed
CN-118109424-A Enzyme catalyst for catalytic preparation of 1- (S) -phenethyl alcohol and application thereof 浙江自贸区宝星生物有限公司 2024-05-31 CN claimed
CN-117230129-A Method for preparing chiral arylamine compound by using aminotransferase or mutant thereof 上海合全药业股份有限公司 2023-12-15 CN claimed
CN-116555366-A Method for preparing chiral lactam compound by using aminotransferase mutant 上海合全药物研发有限公司 2023-08-08 CN claimed
CN-116555364-A Preparation method of aminocyclohexyl compound 上海合全药业股份有限公司 2023-08-08 CN claimed
CN-116555211-A Method for preparing chiral lactam compound by using aminotransferase mutant 上海合全药业股份有限公司 2023-08-08 CN claimed
CN-115894569-B Synthesis and application of chiral metal ring mixed matrix membrane 天津工业大学 2023-07-18 CN claimed
CN-116411033-A Aminotransferase mutant from bacillus megatherium and application thereof 上海合全药业股份有限公司 2023-07-11 CN claimed
US-20140004575-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORPORATION (JP) 2014-01-02 US claimed
EP-2643284-A2 SYNTHETIC METHOD OF ENANTIOMERICALLY PURE 2,2'-DIHYDROXY-1,1'-BINAPHTHYL-3-CARBOXYLIC ACID Aminologics Co., Ltd (KR) 2013-10-02 EP claimed
US-20130210092-A1 Novel Transaminase, Gene Encoding the Same, and Method Using Them KANEKA CORPORATION (JP) 2013-08-15 US claimed
EP-2623595-A1 NOVEL TRANSAMINASE SHOWING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR UTILIZATION THEREOF Kaneka Corporation (JP) 2013-08-07 EP claimed
EP-2623593-A1 NOVEL AMINOTRANSFERASE AND GENE ENCODING SAME, AND USE OF THE AMINOTRANSFERASE AND THE GENE Kaneka Corporation (JP) 2013-08-07 EP claimed
US-20130196389-A1 NOVEL TRANSAMINASE EXHIBITING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR USING THEM KANEKA CORPORATION (JP) 2013-08-01 US claimed
EP-0902011-B1 GAMMA-OXO-HOMOPHENYLALANINE DERIVATIVES AND PROCESS FOR PRODUCING HOMOPHENYLALANINE DERIVATIVES BY REDUCING THE SAME KANEKA CORP (JP) 2003-05-21 EP claimed
US-5981794-A REACTING A BETA-BENZOYLACRYLIC ACID DERIVATIVE WITH A 1-ARYLETHYLAMINE DERIVATIVE KANEKA CORPORATION (JP) 1999-11-09 US claimed
EP-0902011-A1 $g(g)-OXO-HOMOPHENYLALANINE DERIVATIVES AND PROCESS FOR PRODUCING HOMOPHENYLALANINE DERIVATIVES BY REDUCING THE SAME Kaneka Corporation (JP) 1999-03-17 EP claimed
US-5254700-A Process for production of N-substituted carbazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-10-19 US claimed