SCHEMBL4595475

SCHEMBL4595475

CC(C)[C@@H]([C]=O)N(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
SCHEMBL7064239 1.00
SCHEMBL1657421 0.73 CHRM2 (0.34)
SCHEMBL25604334 0.69
SCHEMBL196328 0.67
SCHEMBL1994219 0.67
SCHEMBL4343125 0.67
SCHEMBL934967 0.60
SCHEMBL7221591 0.60
SCHEMBL77706 0.60
SCHEMBL1064989 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287370-A Materials and methods for enhanced degradation of mutant proteins associated with human disease UNIV FLORIDA (US) 2008-10-15 CN claimed
EP-0920325-A3 TETRAPEPTIDE DERIVATIVES OF DOLASTATIN AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP claimed
US-20010018422-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT 2001-08-30 US claimed
EP-1093460-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-04-25 EP claimed
CN-1252806-A Dolastatin-15 derivatives having carbonyl and heterocyclic functional groups at the C-terminus BASF AG (DE) 2000-05-10 CN claimed
EP-0981539-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP claimed
WO-2000002906-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-01-20 WO claimed
US-5985837-A CELL GROWTH INHIBITOR PEPTIDES; TREATING CANCER IN A MAMMAL BASF AKTIENGESELLSCHAFT (DE) 1999-11-16 US claimed
US-5965537-A ANTICANCER AGENTS; WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US claimed
US-5939527-A SYNTHETIC OLIGOPEPTIDE WITH BIOLOGICAL ACTIVITY OF DOLASTATIN FROM SEA HARE BASF AKTIENGESELLSCHAFT (DE) 1999-08-17 US claimed
EP-0920325-A2 TETRAPEPTIDE DERIVATIVES OF DOLASTATIN AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1999-06-09 EP claimed
WO-1998040400-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO claimed
US-5807984-A CONTROLLING DISEASES; PENTAPEPTIDES BASF AKTIENEGESELLSCHAFT (DE) 1998-09-15 US claimed
WO-1998004278-A2 TETRAPEPTIDE DERIVATIVES OF DOLASTATIN AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-02-05 WO claimed
CN-103596938-B Thiazole 默克专利有限公司 2016-12-28 CN disclosed
CN-104093722-B Furo [3,2-b]-and thieno [3,2-b] pyridine derivate as TBK1 and IKK inhibitor 默克专利股份公司 2016-07-27 CN disclosed
CN-103748086-B Pyridine and pyrazines derivatives MERCK PATENT GMBH (DE) 2016-05-25 CN disclosed
US-5300495-A Indole antiinsectan metabolites THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1994-04-05 US disclosed
WO-1993022318-A1 INDOLE ANTIINSECTAN METABOLITES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1993-11-11 WO disclosed
US-5227396-A Biodegradable insecticides from fungi THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1993-07-13 US disclosed