SCHEMBL5581668

SCHEMBL5581668

O=[N+]([O-])c1c[c]c[c]c1

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
SCHEMBL76146 0.80 CYP19A1 (0.57)
SCHEMBL9627250 0.72 ALDH1A1 (0.54)
SCHEMBL4157259 0.70 LMNA (0.43)
SCHEMBL5771776 0.70 CYP19A1 (0.41)
SCHEMBL51060 0.70
SCHEMBL16952363 0.70 ALDH1A1 (0.52)
SCHEMBL458226 0.70 TSHR (0.60)
SCHEMBL11238325 0.70 ALDH1A1 (0.52)
SCHEMBL6647785 0.70 CYP19A1 (0.41)
SCHEMBL5581297 0.70 ALDH1A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826740-B1 Symmetrical perylene dimers XEROX CORP (US) 2002-10-16 EP claimed
EP-0826740-A1 Symmetrical perylene dimers XEROX CORPORATION (US) 1998-03-04 EP claimed
US-5645965-A XEROGRAPHY, CHARGE GENERATING COMPOUNDS XEROX CORPORATION (US) 1997-07-08 US claimed
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP claimed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP claimed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US claimed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US claimed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US claimed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP claimed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP claimed
CN-117157281-A Targeted delivery of 1,2,4, 5-tetraoxacompounds and uses thereof 西湖大学 2023-12-01 CN disclosed
CN-110225904-B Process for preparing cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-10-27 CN disclosed
CN-116554262-A Process for preparing cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-08-08 CN disclosed
CN-116102615-A Process for preparing cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-05-12 CN disclosed
CN-115362154-A Preparation method of ferroportin inhibitor 威佛(国际)股份公司 2022-11-18 CN disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP disclosed
US-4189321-A COUPLER CONTAINING AT LEAST FOUR 5-PYRAZOLONE RESIDUES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-02-19 US disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US disclosed