SCHEMBL4279732

SCHEMBL4279732

CCc1c(Cc2[nH]c(C=O)c(C)c2C(O)CC)[nH]c(Cc2[nH]c(C=O)c(C)c2C(O)CC)c1CC

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
SCHEMBL6863189 0.80 IGF1R (0.33)
SCHEMBL9079647 0.78 LMNA (0.40)
SCHEMBL13228907 0.77 ALDH1A1 (0.34)
SCHEMBL8717358 0.75
SCHEMBL4107546 0.74 P2RX7 (0.34)
SCHEMBL2401165 0.74 P2RX7 (0.33)
SCHEMBL22674288 0.71 P2RX7 (0.30)
SCHEMBL8719717 0.69 IGF1R (0.31)
SCHEMBL7689059 0.69 KMT2A (0.36)
SCHEMBL14864027 0.67 P2RX7 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3530529-B2 2004-05-24 JP claimed
EP-0623134-B1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS UNIV TEXAS (US) 2002-11-06 EP claimed
US-5569759-A MAGNETIC RESONANCE IMAGING; TUMOR THERAPY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-29 US claimed
EP-0623134-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-11-09 EP claimed
WO-1993014093-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-07-22 WO claimed
US-20090105633-A1 ULTRASOUND ASSEMBLY FOR USE WITH LIGHT ACTIVATED DRUGS TACHIBANA KATSURO 2009-04-23 US disclosed
US-20040229830-A1 Delivery of therapeutic compositions using ultrasound TACHIBANA KATSURO (JP) 2004-11-18 US disclosed
US-20040059313-A1 Ultrasound assembly for use with light activated drugs EKOS L.L.C. 2004-03-25 US disclosed
US-20030157024-A1 ULTRASOUND ASSEMBLY FOR USE WITH LIGHT ACTIVATED DRUGS TACHIBANA KATSURO (JP) 2003-08-21 US disclosed
US-20030092667-A1 Delivery of therapeutic compositions using ultrasound EKOS L.L.C. 2003-05-15 US disclosed
US-6527759-B1 Ultrasound assembly for use with light activated drugs EKOS CORPORATION 2003-03-04 US disclosed
EP-0623134-B1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS UNIV TEXAS (US) 2002-11-06 EP disclosed
US-5475104-A Useful in magnetic resonance imaging; detection tumors, cancer cells; transition and lanthanide metals BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-12-12 US disclosed
US-5457183-A Radiosensitizers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-10-10 US disclosed
US-5451576-A Tumor imaging and treatment by water soluble texaphyrin metal complexes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-09-19 US disclosed
US-5439570-A Destroying tumors, viruses; magnetic resonance imaging BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-08 US disclosed
US-5432171-A Water soluble texaphyrin metal complexes for viral deactivation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-07-11 US disclosed
EP-0623134-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-11-09 EP disclosed
US-5252720-A Medical uses BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-10-12 US disclosed
WO-1993014093-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-07-22 WO disclosed