SCHEMBL445008

SCHEMBL445008

CN(N)[C]=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
SCHEMBL4831 0.70
SCHEMBL853433 0.70
SCHEMBL3586187 0.67
SCHEMBL9277569 0.67
Trimethylammonium SCHEMBL7036647 0.64
SCHEMBL3569572 0.64
SCHEMBL6351501 0.64
SCHEMBL10776231 0.64
SCHEMBL6686928 0.64
SCHEMBL27657265 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799441-B1 Processes for the convergent synthesis of calicheamicin derivatives WYETH LLC (US) 2018-04-18 EP claimed
US-20180016228-A1 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES WYETH LLC (US) 2018-01-18 US claimed
US-9802890-B2 Processes for the convergent synthesis of calicheamicin derivatives WYETH LLC (US) 2017-10-31 US claimed
CN-106146350-A A kind of new method of synthesizing amino methylcarbamoyl oximino ester derivant 华南理工大学 2016-11-23 CN claimed
US-20150315138-A1 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES WYETH LLC (US) 2015-11-05 US claimed
EP-1987048-B1 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES WYETH LLC (US) 2014-11-19 EP claimed
EP-2799441-A1 Processes for the convergent synthesis of calicheamicin derivatives Wyeth LLC (US) 2014-11-05 EP claimed
US-20140081010-A1 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES WYETH LLC (US) 2014-03-20 US claimed
US-8273862-B2 Processes for the convergent synthesis of calicheamicin derivatives WYETH LLC (US) 2012-09-25 US claimed
CN-101389639-B Convergent synthesis of calicheamicin derivatives WYETH CORP 2012-07-18 CN claimed
EP-0689845-B1 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID CO (US) 2002-09-04 EP claimed
EP-0837698-B1 METHODS FOR THE PREPARATION OF MONOMERIC CALICHEAMICIN DERIVATIVE/CARRIER CONJUGATES AMERICAN CYANAMID CO (US) 2001-08-16 EP claimed
US-5877296-A REACTING DISULFIDE ANALOGS OF CALICHEAMICIN FAMILY WITH A CARRIER SUCH AS PROTEIN, PEPTIDE, MONO AND POLYCLONAL ANTIBODIES, THEIR ANTIGEN-RECOGNIZING FRAGMENTS AND CHEMICALLY OR GENETICALLY ENGINEERED COUNTERPARTS AMERICAN CYANAMID COMPANY (US) 1999-03-02 US claimed
US-5773001-A ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US claimed
EP-0837698-A1 METHODS FOR THE PREPARATION OF MONOMERIC CALICHEAMICIN DERIVATIVE/CARRIER CONJUGATES American Cyanamid Company (US) 1998-04-29 EP claimed
US-5714586-A INCUBATING CALICHEAMICIN DERIVATIVE AND PROTEIN CARRIER WITH SOLVENTS AND CARBOXYLIC ACID, PURIFYING AMERICAN CYANAMID COMPANY (US) 1998-02-03 US claimed
US-5712374-A Method for the preparation of substantiallly monomeric calicheamicin derivative/carrier conjugates AMERICAN CYANAMID COMPANY (US) 1998-01-27 US claimed
WO-1996040261-A1 METHODS FOR THE PREPARATION OF MONOMERIC CALICHEAMICIN DERIVATIVE/CARRIER CONJUGATES AMERICAN CYANAMID COMPANY (US) 1996-12-19 WO claimed
EP-0689845-A2 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID COMPANY (US) 1996-01-03 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed