SCHEMBL89291

SCHEMBL89291

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
SCHEMBL90549 1.00
SCHEMBL21097863 0.77
SCHEMBL13270436 0.73
SCHEMBL14210186 0.71
SCHEMBL4376483 0.71
SCHEMBL23866777 0.71
SCHEMBL1657424 0.71 CHRM2 (0.30)
SCHEMBL11817317 0.71
SCHEMBL22790561 0.69
SCHEMBL4419564 0.69 PGR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-11135307-B2 Peptide-containing linkers for antibody-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
CN-110312730-A Cytotoxin and conjugate, its Use and preparation method 四川科伦博泰生物医药股份有限公司 2019-10-08 CN disclosed
EP-2928504-B1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS INC (US) 2019-02-20 EP disclosed
CN-108779146-A Peptide derivant and application thereof 东丽株式会社 2018-11-09 CN disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO 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