SCHEMBL420554

SCHEMBL420554

O=[N+]([O-])c1[c]cc[nH]c1=S

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
SCHEMBL7532013 0.78 ALDH1A1 (0.37)
SCHEMBL3277949 0.70 LMNA (0.33)
SCHEMBL2039720 0.70
SCHEMBL11700649 0.66 GPR35 (0.33)
SCHEMBL1136675 0.61 TDP1 (0.45)
SCHEMBL2193445 0.61 LMNA (0.33)
SCHEMBL11882483 0.61 ALDH1A1 (0.33)
SCHEMBL5604304 0.60 LMNA (0.31)
SCHEMBL7136437 0.58 TDP1 (0.46)
SCHEMBL33832 0.58 TDP1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571362-A1 IMPROVED PROCESS FOR A FOLATE-TARGETED AGENT Endocyte, Inc. (US) 2013-03-27 EP claimed
US-20130065841-A1 PROCESS FOR A FOLATE-TARGETED AGENT ENDOCYTE, INC. (US) 2013-03-14 US claimed
WO-2011146707-A1 IMPROVED PROCESS FOR A FOLATE-TARGETED AGENT ENDOCYTE, INC. (US) 2011-11-24 WO claimed
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-20230293497-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2023-09-21 US disclosed
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2023-08-08 US disclosed
US-20230000836-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-01-05 US disclosed
US-11369590-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2022-06-28 US disclosed
US-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2022-05-31 US disclosed
EP-3656403-B1 PREPARATION PROCESS OF PSMA BINDING LIGAND-LINKER CONJUGATES PURDUE RESEARCH FOUNDATION (US) 2022-05-11 EP disclosed
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2022-05-03 US disclosed
WO-2006012527-A1 BIVALENT LINKERS AND CONJUGATES THEREOF ENDOCYTE, INC. (US) 2006-02-02 WO disclosed
EP-1592457-A2 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES Endocyte, Inc. (US) 2005-11-09 EP disclosed
US-20050002942-A1 Minimized toxicity; eliminating pathogenic cell populations; synthesis; claimed intermediates ENDOCYTE, INC. 2005-01-06 US disclosed
WO-2004069159-A2 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES ENDOCYTE, INC. (US) 2004-08-19 WO disclosed
EP-0445813-B1 7-(Diphenylmethyl)oxy-9a-methoxymitosane and the preparation and use thereof BRISTOL MYERS SQUIBB CO (US) 1995-08-02 EP disclosed
US-5352798-A Intermediates for mitomycins; antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-04 US disclosed
US-5175303-A Antitumor agents formed by reaction of diazodiphenylmethane and mitomycin C BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US disclosed
US-5075454-A Chemical intermediate, antitumor agent BRISTOL-MYERS SQUIBB COMPANY (US) 1991-12-24 US disclosed
EP-0445813-A1 7-(Diphenylmethyl)oxy-9a-methoxymitosane and the preparation and use thereof Bristol-Myers Squibb Company (US) 1991-09-11 EP disclosed