SCHEMBL2579456

SCHEMBL2579456

CCC(C)(C)N=C=NC

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
SCHEMBL18245458 0.85 TSHR (0.35)
SCHEMBL4646638 0.78 TSHR (0.30)
SCHEMBL1070324 0.76 CYP1A2 (0.32)
Hydrochloric Acid SCHEMBL5862019 0.76
Hydrochloric Acid SCHEMBL2237708 0.74 CYP1A2 (0.31)
SCHEMBL3336535 0.72 TRPA1 (0.31)
SCHEMBL156371 0.69
SCHEMBL20428108 0.69
SCHEMBL539979 0.69
SCHEMBL1457234 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531851-B1 COVALENT CONJUGATES BETWEEN ARTEMISININ-RELATED ENDOPEROXIDES AND IRON-CARRYING PROTEINS AND METHODS OF USE UNIV WASHINGTON (US) 2011-12-14 EP disclosed
US-8048850-B2 Anticancer agents UNIVERSITY OF WASHINGTON (US) 2011-11-01 US disclosed
EP-1531851-A4 COVALENT CONJUGATES BETWEEN ARTEMISININ-RELATED ENDOPEROXIDES AND IRON-CARRYING PROTEINS AND METHODS OF USE UNIV WASHINGTON (US) 2007-12-12 EP disclosed
US-20070104939-A1 Cleaning sheets, transfer member having cleaning function, and method of cleaning substrate-processing apparatus with these NITTO DENKO CORPORATION 2007-05-10 US disclosed
CN-1313145-C Covalent conjugates between artemisinin-related endoperoxides and iron-carrying proteins and methods of use UNIV WASHINGTON (US) 2007-05-02 CN disclosed
CN-1668323-A Covalent conjugates between artemisinin-related endoperoxides and iron-carrying proteins and methods of use UNIV WASHINGTON (US) 2005-09-14 CN disclosed
EP-1531851-A2 COVALENT CONJUGATES BETWEEN ARTEMISININ-RELATED ENDOPEROXIDES AND IRON-CARRYING PROTEINS AND METHODS OF USE UNIVERSITY OF WASHINGTON (US) 2005-05-25 EP disclosed
US-20040067875-A1 Covalent conjugates between artemisinin-related endoperoxides and iron-carrying proteins and methods of use UNIVERSITY OF WASHINGTON 2004-04-08 US disclosed
WO-2003103592-A2 COVALENT CONJUGATES BETWEEN ARTEMISININ-RELATED ENDOPEROXIDES AND IRON-CARRYING PROTEINS AND METHODS OF USE UNIVERSITY OF WASHINGTON (US) 2003-12-18 WO disclosed