SCHEMBL742283

SCHEMBL742283

CC(=O)OCC[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
SCHEMBL11458286 0.87 ALDH1A1 (0.52)
SCHEMBL4153594 0.86 ALDH1A1 (0.52)
Tromethamine SCHEMBL11444665 0.85 GALR3 (0.37)
SCHEMBL11429849 0.85 ALDH1A1 (0.50)
SCHEMBL10774661 0.83 ALDH1A1 (0.48)
SCHEMBL19582824 0.80 MEN1 (0.44)
Acetic Acid Butyl Ester SCHEMBL10748021 0.80 ALDH1A1 (0.67)
SCHEMBL10981731 0.79 MGAM (0.43)
SCHEMBL2036250 0.79 THRB (0.50)
SCHEMBL4489663 0.78 ALOX15 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640089-A Synthesis method of N-BOC-4-amino-4-carboxylic acid piperidine 深圳市茵诺圣生物科技有限公司 2023-08-25 CN claimed
EP-2808885-B1 Precursor for planar deprocessing of semiconductor devices using a focused ion beam FEI CO (US) 2018-09-12 EP claimed
US-3966825-A Process for preparing β-nitroethanethiol SYNTEX (U.S.A.) INC. (US) 1976-06-29 US claimed
CN-119409702-A Synthesis method of dipyridamole key intermediate 南通森萱药业有限公司 2025-02-11 CN disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
EP-4396176-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2024-07-10 EP disclosed
CN-113994970-B Substituted sulfonamides for combating animal pests 拜耳公司 2023-05-12 CN disclosed
CN-115996638-A Substituted N-phenyluracils and salts thereof and their use as herbicidal agents 拜耳股份有限公司 2023-04-21 CN disclosed
WO-2023034946-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2023-03-09 WO disclosed
CN-113994970-A Substituted sulfonamides for combating animal pests 拜耳公司 2022-02-01 CN disclosed
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-0121830-A2 Substituted dipeptides as antihypertensives USV PHARMACEUTICAL CORPORATION (US) 1984-10-17 EP disclosed
US-4469703-A FUNGICIDES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1984-09-04 US disclosed
US-4228295-A Novel cycloheptathiophene intermediates for the synthesis of biotin HOFFMANN-LA ROCHE INC. (US) 1980-10-14 US disclosed
US-4175086-A Cycloheptathiophene derivatives HOFFMANN-LA ROCHE INC. (US) 1979-11-20 US disclosed
US-4124595-A Synthesis of biotin HOFFMANN-LA ROCHE INC. (US) 1978-11-07 US disclosed
US-4087438-A Thieno[3,4-d]furoxan and process for its preparation SYNTEX (U.S.A.) INC. (US) 1978-05-02 US disclosed
US-4062868-A Synthesis of biotin HOFFMANN-LA ROCHE INC. (US) 1977-12-13 US disclosed
US-4044020-A Process for preparing biotin SYNTEX (U.S.A.) INC. (US) 1977-08-23 US disclosed
US-3966825-A Process for preparing β-nitroethanethiol SYNTEX (U.S.A.) INC. (US) 1976-06-29 US disclosed