SCHEMBL1285374

SCHEMBL1285374

CC(C)(C)[O-].[Cs+]

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
SCHEMBL843249 0.86 TSHR (0.30)
SCHEMBL6663196 0.86 TSHR (0.30)
SCHEMBL21404983 0.86 TSHR (0.30)
Zinc Ion SCHEMBL25253083 0.86 TSHR (0.30)
SCHEMBL6456965 0.86 TSHR (0.30)
SCHEMBL25300512 0.86 TSHR (0.30)
SCHEMBL21405223 0.86 TSHR (0.30)
SCHEMBL20490117 0.86 TSHR (0.30)
SCHEMBL3176617 0.86 TSHR (0.30)
SCHEMBL10324906 0.86 TSHR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143169-B1 PROCESSES FOR THE PREPARATION OF A KINASE INHIBITOR EXELIXIS INC (US) 2026-04-15 EP claimed
CN-121571089-A Dynamic explosion-eliminating tubular reaction system and method for nitramine energetic material 西安近代化学研究所 2026-02-27 CN claimed
US-12497367-B2 Processes for the preparation of a kinase inhibitor EXELIXIS, INC. (US) 2025-12-16 US claimed
CN-120025542-A Non-isocyanate polyurethane and multicomponent selective synthesis method thereof 华南理工大学 2025-05-23 CN claimed
CN-119978387-A Three-component synthesis method of polyphosphonate 华南理工大学 2025-05-13 CN claimed
CN-119874783-A Deep blue light emitting triazole carbene iridium complex, synthesis method thereof and application thereof in electroluminescent device 香港理工大学深圳研究院 2025-04-25 CN claimed
CN-119613701-A Method for synthesizing functionalized polyether in multi-proton system 华南理工大学 2025-03-14 CN claimed
CN-119409701-A Preparation method and application of blue light iridium (III) complex containing triazole carbene auxiliary ligand 成都大学 2025-02-11 CN claimed
US-20240376024-A1 METHOD FOR PREPARING DEUTERATED CHEMICAL BY MEANS OF DEUTERATION REACTION OF CARBON-HYDROGEN BOND WITH DEUTERIUM GAS UNDER CATALYSIS OF ALKALI FUDAN UNIVERSITY (CN) 2024-11-14 US claimed
CN-116003771-B Synthesis method of alpha, beta-unsaturated carboxylic ester functionalized polymer 华南理工大学 2024-10-01 CN claimed
EP-1678135-B1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMA INC (US) 2009-05-13 EP claimed
EP-2054379-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ENTACAPONE Alembic Limited (IN) 2009-05-06 EP claimed
WO-2008101860-A1 NOVEL PROCESS FOR THE PREPARATION OF 5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYL-N-(PIPERIDIN-1-YL)PYRAZOLE-3-CARBOXAMIDE SANDOZ AG (CH) 2008-08-28 WO claimed
WO-2008062432-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ENTACAPONE ALEMBIC LIMITED (IN) 2008-05-29 WO claimed
US-20060258877-A1 Process for the preparation of (E)-2-cyano-3-(3, 4-dihydroxy-5-nitrophenyl)-N, N-diethyl-2-propenamide (entacapone) ALEMBIC LIMITED (IN) 2006-11-16 US claimed
US-7112682-B2 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2006-09-26 US claimed
EP-1678135-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS Aventis Pharmaceuticals, Inc. (US) 2006-07-12 EP claimed
US-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-05-12 US claimed
WO-2005035496-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2005-04-21 WO claimed
EP-1081144-A2 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed