SCHEMBL573231

SCHEMBL573231

CCCC(C#N)CC

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
SCHEMBL464424 1.00
Water SCHEMBL573386 1.00
Water SCHEMBL573385 1.00 TSHR (0.37)
Hydrochloric Acid SCHEMBL16974730 0.97
SCHEMBL7157362 0.90 TSHR (0.35)
SCHEMBL532758 0.88
SCHEMBL15309950 0.88 TSHR (0.41)
Phosphoric Acid SCHEMBL574558 0.86 FDPS (0.43)
Phosphoric Acid SCHEMBL574780 0.86 FDPS (0.43)
SCHEMBL3671291 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805177-B Preparation method of saxagliptin intermediate 河北富格药业有限公司 2024-03-01 CN claimed
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN PRECISION MEDICINE (FR) 2023-11-09 US claimed
CN-114805177-A Preparation method of saxagliptin intermediate 河北富格药业有限公司 2022-07-29 CN claimed
CN-112567468-A Method for lowering blood glucose using dipeptidyl peptidase-4 inhibitor pharmaceutical composition 阿斯利康(英国)有限公司 2021-03-26 CN claimed
CN-111138341-A Preparation method of saxagliptin 天津民祥生物医药股份有限公司 2020-05-12 CN claimed
WO-2010146597-A1 2-AMINO-2- [8-(DIMETHYL CARBAMOYL)- 8-AZA- BICYCLO [3.2.1] OCT-3-YL]-EXO- ETHANOYL DERIVATIVES AS POTENT DPP-IV INHIBITORS LUPIN LIMITED (IN) 2010-12-23 WO claimed
CN-118265542-A Treatment with Ileal Bile Acid Transporter (IBAT) inhibitors to increase Event Free Survival (EFS) 米鲁姆制药公司 2024-06-28 CN disclosed
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-118139623-A Methods of administering apical sodium-dependent cholic acid transporter inhibitors (ASBTIs) 米鲁姆制药公司 2024-06-04 CN disclosed
CN-117836294-A Biological antagonist containing aromatic ring, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-04-05 CN disclosed
CN-117715642-A Heterocyclic compounds and methods of use 薛定谔公司 2024-03-15 CN disclosed
CN-117677664-A Thermoplastic polyurethane-containing composition 布拉斯科有限公司 2024-03-08 CN disclosed
CN-115417794-B Preparation method of saxagliptin intermediate 扬州市三药制药有限公司 2024-03-01 CN disclosed
EP-0421561-B1 24-D-homo-vitamin D-derivatives, a process for their production, pharmaceutical compositions containing them and their use as medicines SCHERING AG (DE) 1994-04-06 EP disclosed
EP-0454726-A4 HINDERED LINKING AGENTS AND METHODS 1991-11-27 EP disclosed
EP-0454726-A1 HINDERED LINKING AGENTS AND METHODS Xoma Corporation (US) 1991-11-06 EP disclosed
EP-0421561-A2 24-D-homo-vitamin D-derivatives, a process for their production, pharmaceutical compositions containing them and their use as medicines SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-10 EP disclosed
WO-1990006774-A1 HINDERED LINKING AGENTS AND METHODS XOMA CORPORATION (US) 1990-06-28 WO disclosed
US-4377533-A PROPYLATION OF NITRILES SANOFI (FR) 1983-03-22 US disclosed
US-4127607-A DIPROPYLACETAMIDE BY ACID HYDROLYSIS OF DIPROPYLACETONITRILE WITH SULFURIC ACID LABAZ (FR) 1978-11-28 US disclosed