SCHEMBL5573452

SCHEMBL5573452

CC(C)(C)N([C@@H](CCC(=O)N=C=O)C(=O)N=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
SCHEMBL5573448 0.87 FOLH1 (0.33)
SCHEMBL4461288 0.72
SCHEMBL28972983 0.72 CYP1A2 (0.34)
SCHEMBL5571209 0.71
SCHEMBL4459591 0.68 GRM8 (0.34)
SCHEMBL8234490 0.68 GRM8 (0.34)
SCHEMBL31378966 0.68
SCHEMBL11658695 0.65
SCHEMBL471969 0.65
SCHEMBL9219251 0.62 CYP1A2 (0.45)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711177-B1 IMPROVEMENTS RELATING TO THE PREPARATION OF PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2007-05-09 EP disclosed
EP-0708660-B1 COMPOUNDS USEFUL FOR PREPARING PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RES CAMPAIGN TECH (GB) 2007-05-09 EP disclosed
US-5770731-A PROTECTING GROUPS, ANTIBODY DIRECTED ENZYME/PRODRUG THERAPY, ANTICARCINOGENIC AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-23 US disclosed
US-5728868-A Prodrugs of protein tyrosine kinase inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-17 US disclosed
EP-0711177-A1 IMPROVEMENTS RELATING TO PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-15 EP disclosed
EP-0708660-A1 PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-01 EP disclosed
WO-1995003830-A2 PRODRUGS OF FARNESYL TRANSFERASE INHIBITORS FOR ADEPT OR VDEPT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-02-09 WO disclosed
WO-1995002420-A2 PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1995-01-26 WO disclosed