SCHEMBL5035819

SCHEMBL5035819

CC([O])NC(C)(C)C

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
SCHEMBL7967124 0.73 PIK3CD (0.34)
SCHEMBL7967194 0.71
SCHEMBL10005572 0.69 SLC6A4 (0.42)
SCHEMBL13725538 0.69 SLC6A4 (0.42)
SCHEMBL2063015 0.69 CACNA1F (0.32)
SCHEMBL104329 0.69
SCHEMBL7967672 0.69 TSHR (0.30)
SCHEMBL90103 0.68
Hydrochloric Acid SCHEMBL29012713 0.67
SCHEMBL29249255 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356015-A2 METHOD FOR THE SELECTIVE REMOVAL OF HYDROGEN SULFIDE BASF SE (DE) 2018-08-08 EP disclosed
EP-3356012-A1 AMINE COMPOUNDS FOR SELECTIVELY REMOVING HYDROGEN SULPHIDE BASF SE (DE) 2018-08-08 EP disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-6528512-B1 Cytokine specific binding protein; SMITHKLINE BEECHAM CORPORATION 2003-03-04 US disclosed
EP-0889888-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
US-20020123500-A1 Use of CSAIDTM compounds as inhibitors of angiogenesis SMITHKLINE BEECHAM CORPORATION 2002-09-05 US disclosed
WO-1997035856-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed
WO-1997033883-A1 NOVEL PYRIMIDINE COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1997-09-18 WO disclosed
WO-1997032583-A1 USE OF CSAIDTM COMPOUNDS AS INHIBITORS OF ANGIOGENESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-12 WO disclosed
WO-1997025047-A1 NOVEL CYCLOALKYL SUBSTITUDED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed