SCHEMBL88454

SCHEMBL88454

CNC(C=O)C(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
SCHEMBL14318100 1.00
SCHEMBL25662386 0.78
SCHEMBL26431620 0.78
SCHEMBL27527664 0.78
SCHEMBL23446809 0.78
SCHEMBL24312311 0.78
SCHEMBL25660751 0.78
SCHEMBL12648317 0.74
SCHEMBL8092756 0.74 ADH1B (0.41)
SCHEMBL18098502 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021200-B1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AG (DE) 2002-02-06 EP claimed
US-20010009901-A1 Antineoplastic peptides BASF AKTIENGESELLSCHAFT GERMANY 2001-07-26 US claimed
EP-0866800-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-30 EP claimed
WO-1997022621-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO claimed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
EP-1593686-A1 Antineoplastic peptides Abbott GmbH & Co. KG (DE) 2005-11-09 EP disclosed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
EP-1021200-B1 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS BASF AG (DE) 2002-02-06 EP disclosed
US-20010009901-A1 Antineoplastic peptides BASF AKTIENGESELLSCHAFT GERMANY 2001-07-26 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0866800-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed
WO-1997022621-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO disclosed