SCHEMBL5828907

SCHEMBL5828907

C/C=C\COC=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
SCHEMBL97428 1.00
SCHEMBL1695497 1.00
SCHEMBL4902373 0.85
SCHEMBL4902369 0.85
SCHEMBL10530245 0.81
SCHEMBL10530248 0.81
SCHEMBL8966085 0.75
SCHEMBL1016238 0.75
SCHEMBL8699731 0.75
SCHEMBL9179249 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7025971-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2006-04-11 US disclosed
US-6962791-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2005-11-08 US disclosed
US-6872542-B1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria SIGA PHARMACEUTICALS, INC. (US) 2005-03-29 US disclosed
EP-0730601-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS UNIV WASHINGTON (US) 2004-07-14 EP disclosed
US-20030224468-A1 By interacting with periplasmic molecular chaperones the assembly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished HULTGREN SCOTT (US) 2003-12-04 US disclosed
US-20030198992-A1 By interacting with periplasmic molecular chaperones so the assemlbly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished; used in drug design HULTGREN SCOTT (US) 2003-10-23 US disclosed
US-6596504-B2 Preventing, inhibiting or enhancing binding between at least one type of pilus subunit and at least one type of periplasmic molecular chaperone in the pilus-forming bacteria for therapy or prophylaxis of diseases WASHINGTON UNIVERSITY 2003-07-22 US disclosed
US-6548265-B2 Preventing, inhibiting or enhancing binding between pilus subunits and periplasmic molecular chaperone WASHINGTON UNIVERSITY 2003-04-15 US disclosed
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-10-10 US disclosed
US-6420127-B1 PREVENTION OF MICROORGANISMAL INFECTIONS; OBTAIN MEMBRANES, INCUBATE WITH MODULATORS, MONITOR MICROORGANISMAL INFECTIONS WASHINGTON UNIVERSITY 2002-07-16 US disclosed
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-04-18 US disclosed
US-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-03-21 US disclosed
US-6153396-A DRUG SCREENING BY ADDING COMPOUND TO MIXTURE OF CHAPERONE AND PILUS SUBUNIT AND DETERMINING THE CHANGE IN BINDING; BACTERICIDES FOR URINARY TRACT INFECTIONS SIGA PHARMACEUTICALS, INC. (US) 2000-11-28 US disclosed
US-6001823-A NOVEL PYRANOSIDES WHICH ARE BELIEVED TO BE CAPABLE OF INTERACTING WITH PERIPLASMIC MOLECULAR CHAPERONES WASHINGTON UNIVERSITY 1999-12-14 US disclosed
EP-0730601-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1996-09-11 EP disclosed
WO-1995014028-A9 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS 1995-08-10 WO disclosed
WO-1995014028-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1995-05-26 WO disclosed