SCHEMBL2460939

SCHEMBL2460939

CCCC(O)C[N+](=O)[O-]

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
SCHEMBL6776556 0.86 ALDH1A1 (0.44)
SCHEMBL6261483 0.85 NFKB1 (0.48)
SCHEMBL6382813 0.83 GPR84 (0.50)
SCHEMBL11624224 0.83 GPR84 (0.50)
SCHEMBL11692251 0.83 GPR84 (0.50)
SCHEMBL11689543 0.83 GPR84 (0.50)
SCHEMBL6294221 0.83 GPR84 (0.50)
SCHEMBL10906089 0.83 GPR84 (0.50)
SCHEMBL11692164 0.83 GPR84 (0.50)
SCHEMBL10947381 0.83 GPR84 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869374-B 2-oxo-1, 3-oxazolidinyl imidazothiadiazole derivatives UCB生物制药有限责任公司 2022-08-30 CN disclosed
CN-110869375-B 2-oxo-1-imidazolidinylimidazothiadiazole derivatives UCB生物制药有限责任公司 2022-08-30 CN disclosed
US-11155565-B2 2-oxo-1,3-oxazolidinyl imidazothiadiazole derivatives UCB Biopharma SRL 2021-10-26 US disclosed
US-20200231599-A1 2-OXO-1,3-OXAZOLIDINYL IMIDAZOTHIADIAZOLE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2020-07-23 US disclosed
CN-102892505-B Chiral heterogeneous catalyst for asymmetric nitroaldol reaction COUNCIL SCIENT IND RES 2015-02-11 CN disclosed
US-8557726-B2 Chiral heterogeneous catalyst for assymmetric nitroaldol reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-10-15 US disclosed
US-20130096333-A1 Chiral Heterogeneous Catalyst for Assymmetric Nitroaldol Reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-04-18 US disclosed
CN-102892505-A Chiral heterogeneous catalyst for asymmetric nitroaldol reaction COUNCIL SCIENT IND RES 2013-01-23 CN disclosed
EP-2544818-A1 CHIRAL HETEROGENEOUS CATALYST FOR ASYMMETRIC NITROALDOL REACTION Council of Scientific & Industrial Research (IN) 2013-01-16 EP disclosed
CN-102458581-A N- (hetero) aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo [2,3-d ] pyrimidines and pyrrol-3-yl-pyrrolo [2,3-d ] pyrimidines as JANUS kinase inhibitors INCYTE CORP 2012-05-16 CN disclosed
WO-2011110895-A1 CHIRAL HETEROGENEOUS CATALYST FOR ASYMMETRIC NITROALDOL REACTION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-15 WO disclosed
US-4581178-A USING TRANSITION METAL COMPLEXES CONTAINING PHOSPHINE OR ARSINE LI E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-08 US disclosed
EP-0024113-B1 STABILISATION OF 1,1,1,-TRICHLOROETHANE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-09 EP disclosed
US-4356038-A TERT-BUTANOL, NITROMETHANE, NITROPROPANE OR NITROETHANE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-10-26 US disclosed
EP-0024113-A1 Stabilisation of 1,1,1,-trichloroethane IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-25 EP disclosed
US-4058541-A Preparation of 2-alkanoyloxy-alkanoic TEXACO INC. (US) 1977-11-15 US disclosed
US-4058540-A FROM A NITROALKYL NITRATE OR NITRO ALCOHOL AND ALKANOIC ACID, CALCIUM OCIDE OR CARBOXYLATE CATALYST TEXACO INC. (US) 1977-11-15 US disclosed
US-4040977-A HALOACETAMIDE OR THIOCYANOACETAMIDE-ALCOHOL-FORMALDEHYDE CONDENSATES STERLING DRUG INC. (US) 1977-08-09 US disclosed