SCHEMBL125115

SCHEMBL125115

CC(C)(C)CC(N)=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
Bromide SCHEMBL8373854 0.97 LMNA (0.35)
Hydrochloric Acid SCHEMBL3026920 0.97
Hydrochloric Acid SCHEMBL8373770 0.97 KDM4E (0.40)
Trifluoroacetic Acid SCHEMBL15541598 0.84 NOS1 (0.39)
SCHEMBL31441327 0.83
SCHEMBL16280996 0.80 KDM4E (0.42)
SCHEMBL156638 0.78
SCHEMBL95243 0.78
SCHEMBL1133260 0.78
SCHEMBL8709491 0.78 HMGCR (0.55)

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 1509 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291185-A1 CONJOINT THERAPY FOR TREATING SEIZURE DISORDERS Xenon Pharmaceuticals Inc. (CA) 2023-12-20 EP claimed
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
EP-4031548-A1 METHODS OF USE FOR KV7 CHANNEL ACTIVATORS Knopp Biosciences LLC (US) 2022-07-27 EP claimed
CN-114478389-A Isotopic psychoactive substance labeled compound, preparation method, application and application thereof 公安部第三研究所 2022-05-13 CN claimed
CN-114206892-A (2-acetamido) thio-beta-D-galactopyranoside derivatives 爱杜西亚药品有限公司 2022-03-18 CN claimed
WO-2021130255-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2021-07-01 WO claimed
CN-112839654-A Process for preparing substituted pyridone-containing tricyclic compounds 爱彼特生物制药公司 2021-05-25 CN claimed
WO-2021055538-A1 METHODS OF USE FOR KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2021-03-25 WO claimed
CN-1131146-A Process for producing N- [1- (2, 4-dichlorophenyl) ethyl ] -2-cyano-3, 3-dimethylbutanamide SUMITOMO CHEMICAL CO (JP) 1996-09-18 CN claimed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP claimed
WO-1995033464-A2 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1995-12-14 WO claimed
EP-0430738-A2 Use of an imidazopyridine for the manufacture of anesthetic medicaments SYNTHELABO (FR) 1991-06-05 EP 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
EP-0303863-A2 Benzenesulfonyl carboxamide compounds, intermediate compounds and methods of preparation thereof and use of said compounds and intermediate compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1989-02-22 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