SCHEMBL5313392

SCHEMBL5313392

O=C1N(CO)CC[N+]1(O)CO

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
SCHEMBL757874 0.78
SCHEMBL133648 0.63 CYP2D6 (0.36)
SCHEMBL5033987 0.60 L3MBTL1 (0.33)
SCHEMBL7804731 0.59
SCHEMBL472276 0.59 TSHR (0.35)
SCHEMBL7378056 0.59
SCHEMBL8618624 0.57 TSHR (0.33)
SCHEMBL9930180 0.57
SCHEMBL10566288 0.56
SCHEMBL477750 0.56

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199327-B1 Water-absorbing agent and process for producing the same NIPPON CATALYTIC CHEM IND (JP) 2007-07-25 EP claimed
EP-0128034-B1 METHOD FOR DYEING AND FINISHING CELLULOSE FIBER MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-19 EP claimed
US-4551150-A BONDING TO CELLULOSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-11-05 US claimed
EP-0128034-A2 Method for dyeing and finishing cellulose fiber material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 EP claimed
JP-8120590-A None JP disclosed
EP-1199327-B1 Water-absorbing agent and process for producing the same NIPPON CATALYTIC CHEM IND (JP) 2007-07-25 EP disclosed
US-6809158-B2 AN OXETANE COMPOUND AND/OR AN IMIDAZOLIDINONE FOR CROSSLINKING A WATER-ABSORBENT RESIN; BALANCE BETWEEN THE ABSORPTION CAPACITY WITHOUT AND WITH A LOAD; FLUIDITY UNDER A HYGROSCOPIC ATMOSPHERE; EXCELLENT SAFETY; DISPOSABLE PRODUCTS NIPPON SHOKUBAI CO., LTD. (JP) 2004-10-26 US disclosed
US-20020072471-A1 Water-absorbing agent and process for producing the same NIPPON SHOKUBAI CO., LTD. (JP) 2002-06-13 US disclosed
EP-1199327-A2 Water-absorbing agent and process for producing the same Nippon Shokubai Co., Ltd. (JP) 2002-04-24 EP disclosed
JP-H08120590-A DIFFUSIBLE ABSORBING PAPER KAO CORP 1996-05-14 JP disclosed
US-4880434-A FIBER REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-14 US disclosed
EP-0128034-B1 METHOD FOR DYEING AND FINISHING CELLULOSE FIBER MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-19 EP disclosed
US-4551150-A BONDING TO CELLULOSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-11-05 US disclosed
EP-0128034-A2 Method for dyeing and finishing cellulose fiber material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 EP disclosed