SCHEMBL8726808

SCHEMBL8726808

CSSCC(=O)NCC(CC#N)NC(=O)CSSC

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
SCHEMBL8721924 0.74
SCHEMBL8726821 0.66 CTSS (0.31)
SCHEMBL6414278 0.63 ALDH1A1 (0.47)
SCHEMBL9697740 0.61 CTSS (0.52)
SCHEMBL12092123 0.60
SCHEMBL4614441 0.59 HPGD (0.40)
SCHEMBL24745680 0.59 CASP2 (0.47)
SCHEMBL8738527 0.58
SCHEMBL26304773 0.58
SCHEMBL15099963 0.57 MAPT (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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813425-A4 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORP (US) 1998-09-09 EP disclosed
US-5756685-A MEDICAL DIAGNOSIS; THERAPY NEORX CORPORATION (US) 1998-05-26 US disclosed
EP-0813425-A1 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORPORATION (US) 1997-12-29 EP disclosed
US-5556982-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1996-09-17 US disclosed
WO-1995002423-A1 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NEORX CORPORATION (US) 1995-01-26 WO disclosed
US-5242679-A Complexes for imaging tumors NEORX CORPORATION (US) 1993-09-07 US disclosed
US-5175343-A For detection, radiotherapy and radeoimaging of tumors NEORX CORPORATION (US) 1992-12-29 US disclosed
US-5120526-A Chelate compounds NEORX CORPORATION (US) 1992-06-09 US disclosed
EP-0188256-B1 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NeoRx (US) 1991-08-21 EP disclosed
US-5037630-A Chelated polypeptides specific for tumors, improved imaging NEORX CORPORATION (US) 1991-08-06 US disclosed
US-4897255-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1990-01-30 US disclosed
EP-0188256-A2 Metal radionuclide labeled proteins for diagnosis and therapy NeoRx (US) 1986-07-23 EP disclosed