SCHEMBL904427

SCHEMBL904427

[O-][n+]1ccc(CO)cc1

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
SCHEMBL8111742 0.79 TDP1 (0.50)
SCHEMBL1434203 0.74
SCHEMBL10044408 0.72
SCHEMBL21490432 0.72 CHKA (0.56)
SCHEMBL10839040 0.72 GPR84 (0.47)
SCHEMBL9481458 0.72
SCHEMBL3674028 0.72
SCHEMBL16693172 0.72
SCHEMBL3672063 0.72
SCHEMBL5844197 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9287052-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-03-15 US claimed
US-20130292601-A1 Additives for Dye-Sensitized Solar Cells MERCK PATENT GMBH (DE) 2013-11-07 US claimed
JP-2164813-A None JP disclosed
US-20250084063-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-03-13 US disclosed
WO-2025042736-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION (US) 2025-02-27 WO disclosed
US-9287052-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
EP-2621899-B1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2015-10-21 EP disclosed
CN-103237790-B Novel methylcyclohexane derivatives and uses thereof SK BIOPHARMACEUTICALS CO LTD 2014-12-03 CN disclosed
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
US-8822463-B2 Methylcyclohexane derivatives and uses thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-02 US disclosed
US-20130292601-A1 Additives for Dye-Sensitized Solar Cells MERCK PATENT GMBH (DE) 2013-11-07 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993020063-A1 UNBRIDGED BIS-ARYL CARBINOL DERIVATIVES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1993-10-14 WO disclosed
WO-1993020080-A1 BRIDGED BIS-ARYL CARBINOL DERIVATIVES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1993-10-14 WO disclosed
EP-0553191-A1 PYRIDINE AND PYRIDINE N-OXIDE DERIVATIVES OF DIARYL METHYL PIPERIDINES OR PIPERAZINES, AND COMPOSITIONS AND METHODS OF USE THEREOF. SCHERING CORP (US) 1993-08-04 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed
EP-0535152-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS. SCHERING CORP (US) 1993-04-07 EP disclosed
WO-1992006971-A1 PYRIDINE AND PYRIDINE N-OXIDE DERIVATIVES OF DIARYL METHYL PIPERIDINES OR PIPERAZINES, AND COMPOSITIONS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 1992-04-30 WO disclosed
WO-1992000293-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1992-01-09 WO disclosed
JP-H02164813-A HAIR TONIC SHISEIDO CO LTD 1990-06-25 JP disclosed