SCHEMBL125408

SCHEMBL125408

[CH2]CC(C)OC(C)=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
SCHEMBL8570409 0.80
SCHEMBL15751663 0.78 TSHR (0.48)
SCHEMBL10793944 0.78 TSHR (0.58)
SCHEMBL10796086 0.78 TSHR (0.58)
SCHEMBL10331178 0.78 TSHR (0.58)
SCHEMBL10804192 0.78 TSHR (0.58)
SCHEMBL11653021 0.77
SCHEMBL1142177 0.77 MGAM (0.46)
SCHEMBL8573948 0.77 TSHR (0.47)
SCHEMBL7790864 0.76 TSHR (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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4689292-A ORTHOCHROMATIC DYE SENSITIZERS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-08-25 US claimed
EP-0125205-A1 N-phenylsulfonyl-N'-pyrimidinyl and triazinyl urea CIBA-GEIGY AG (CH) 1984-11-14 EP claimed
US-12006311-B2 Compounds for use in preventing or treating cancer FUNDACIÓ HOSPITAL UNIVERSITARI VALL D'HEBRONINSTITUT DE RECERCA (ES) 2024-06-11 US disclosed
WO-2024083861-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF SELABTEC SCIENCES, SLU (ES) 2024-04-25 WO disclosed
EP-4356909-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF Selabtec Sciences, SLU (ES) 2024-04-24 EP disclosed
EP-3271468-B1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION SL (ES) 2022-12-14 EP disclosed
CN-107849594-B Deamination of organophosphorus nucleosides 科技学专业学院有限公司 2022-01-18 CN disclosed
CN-107922843-B Material composition 默克专利股份有限公司 2021-12-10 CN disclosed
US-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER AMIRA THERAPEUTICS, S.L. (ES) 2021-07-29 US disclosed
CN-106458808-B Fullerene derivative 天光材料科技股份有限公司 2021-04-20 CN disclosed
CN-105121596-B Mesogenic compounds, liquid-crystalline medium and liquid-crystal display 默克专利股份有限公司 2021-03-12 CN disclosed
US-4659654-A CYANINE DYES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-04-21 US disclosed
EP-0178097-A2 Silver halide photographic light-sensitive emulsion KONICA CORPORATION (JP) 1986-04-16 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
EP-0125205-A1 N-phenylsulfonyl-N'-pyrimidinyl and triazinyl urea CIBA-GEIGY AG (CH) 1984-11-14 EP disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4398913-A ALKALINE PASTES CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4386935-A Process for producing discharge reserve prints on textile materials with amino-azo-benzene dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1983-06-07 US disclosed
US-3998827-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1976-12-21 US disclosed