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) —
SCHEMBL3674028 0.72 — —
SCHEMBL3672063 0.72 — —
SCHEMBL9481458 0.72 — —
SCHEMBL16693172 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
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