SCHEMBL4605224

SCHEMBL4605224

[Li]C1(C#C)C=CC=CC1

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
SCHEMBL9793648 0.70
SCHEMBL1231856 0.67
SCHEMBL1369784 0.67
SCHEMBL28836698 0.67
SCHEMBL6779736 0.67
SCHEMBL29695880 0.67
SCHEMBL28546517 0.67
SCHEMBL28873843 0.66
SCHEMBL29249251 0.66
SCHEMBL14248768 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944307-A2 Synthetic Salicylihalamides, Apicularens and Derivatives Thereof Board of Regents, The University of Texas System (US) 2008-07-16 EP disclosed
US-6936723-B2 Synthetic salicylihalamides, apicularens and derivatives thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-08-30 US disclosed
US-20040171672-A1 Synthetic salicylihalamides, apicularens and derivatives thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-09-02 US disclosed
US-6734209-B2 MACROCYCLIC LACTONES HAVING ANTI-CANCER ACTIVITY AND VACUOLAR ATPASE INHIBITORY ACTIVITY BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2004-05-11 US disclosed
US-20040063778-A1 Synthetic salicylihalamides, apicularens and derivatives thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-04-01 US disclosed
US-6617348-B1 Treating or preventing osteoporosis UT SOUTHWESTERN MEDICAL CENTER 2003-09-09 US disclosed
EP-1307439-A2 SYNTHETIC SALICYLIHALAMIDES, APICULARENS AND DERIVATIVES THEREOF Board of Regents, The University of Texas System (US) 2003-05-07 EP disclosed
WO-2002012223-A2 SYNTHETIC SALICYLIHALAMIDES, APICULARENS AND DERIVATIVES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-02-14 WO disclosed