SCHEMBL276947

SCHEMBL276947

CC(C)(C)CC([NH])=O

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
SCHEMBL2471954 0.78
SCHEMBL1031394 0.75
SCHEMBL4605430 0.75
SCHEMBL276420 0.73
SCHEMBL14914212 0.72 HMGCR (0.40)
SCHEMBL818454 0.72 HMGCR (0.40)
SCHEMBL275992 0.69
SCHEMBL11522679 0.69
T-Butylacetic Acid SCHEMBL10950588 0.69 HMGCR (0.61)
T-Butylacetic Acid SCHEMBL71379 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 379 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192646-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2023-06-22 US claimed
EP-4081299-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2022-11-02 EP claimed
CN-114867525-A Dihydrocyclopentaisoquinoline derivatives UCB生物制药有限责任公司 2022-08-05 CN claimed
WO-2021130255-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 WO claimed
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 EP claimed
WO-2012175513-A1 THIENYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO claimed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 EP claimed
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US claimed
CN-102186818-A 7-(piperazine-1-ymethyl)-1h-indole-2-carboxylic acid (phenyl)-amide derivatives and allied compounds as p38 map kinase inhibitors for the treatment of respiratory diseases BOEHRINGER INGELHEIM INT 2011-09-14 CN claimed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP claimed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 WO claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-0143001-B1 PYRIMIDOISOQUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-04-10 EP claimed
EP-0312157-A2 Tetrapeptide renin inhibitors having a novel c-terminal amino acid MERCK & CO. INC. (US) 1989-04-19 EP claimed
EP-0312158-A2 Tetrapeptide renin inhibitors having novel c-terminal amino acid amide MERCK & CO. INC. (US) 1989-04-19 EP claimed
US-4673676-A Pyrimidoisoquinoline derivatives useful for treating allergies FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-16 US claimed
EP-0143001-A2 Pyrimidoisoquinoline derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-05-29 EP claimed