SCHEMBL4397157

SCHEMBL4397157

Nc1ncc(C[C]=O)s1

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
SCHEMBL6292989 0.76
SCHEMBL3536369 0.73
Hydrochloric Acid SCHEMBL7444276 0.72 EPHX2 (0.46)
SCHEMBL232903 0.71
SCHEMBL27621107 0.71
SCHEMBL2306049 0.71
Hydrochloric Acid SCHEMBL1902782 0.71 EPHX2 (0.48)
SCHEMBL10126252 0.71
Hydrochloric Acid SCHEMBL1908195 0.71
SCHEMBL4598964 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801703-A PHOSPHORUS COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-31 US claimed
US-11865195-B2 Evaluation of presence of and vulnerability to atrial fibrillation and other indications using matrix metalloproteinase-based imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2024-01-09 US disclosed
US-20200390912-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-17 US disclosed
EP-2775906-B1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING UNIV YALE (US) 2019-07-03 EP disclosed
US-20180177901-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2018-06-28 US disclosed
US-20150023873-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2015-01-22 US disclosed
EP-1622647-B1 VITRONECTIN RECEPTOR ANTAGONIST COMPOUNDS AND THEIR USE IN THE PREPARATION OF RADIOPHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2009-11-25 EP disclosed
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP disclosed
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
WO-2001060416-A2 MATRIX METALLOPROTEINASE INHIBITORS AS TARGETING COMPONENTS IN DIAGNOSTIC AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-08-23 WO disclosed
EP-1068224-A2 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS Du Pont Pharmaceuticals Company (US) 2001-01-17 EP disclosed
EP-1068222-A1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION AND FOR IMAGING AND TREATMENT OF CANCER Du Pont Pharmaceuticals Company (US) 2001-01-17 EP disclosed
WO-2000035492-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed
WO-2000035887-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARM CO (US) 2000-06-22 WO disclosed
WO-1999058162-A2 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-11-18 WO disclosed
WO-1999051628-A1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION AND FOR IMAGING AND TREATMENT OF CANCER DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-14 WO disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed