SCHEMBL4847157

SCHEMBL4847157

CC(Cl)C(C)(C)CC#N

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
SCHEMBL12868887 0.78
SCHEMBL11276158 0.74 TSHR (0.33)
SCHEMBL14110307 0.70
SCHEMBL19102047 0.69 TSHR (0.33)
SCHEMBL10951990 0.69
SCHEMBL11287239 0.65 ALDH1A1 (0.30)
SCHEMBL686751 0.64
SCHEMBL17998202 0.64 ALDH1A1 (0.38)
SCHEMBL9535784 0.64
SCHEMBL18896370 0.63

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
CN-101070316-A Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARMA GMBH (DE) 2007-11-14 CN disclosed
CN-1331862-C Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARAMCEUTICALS PRODUC (DE) 2007-08-15 CN disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0397697-B1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RHONE POULENC RORER INT (US) 1996-08-28 EP disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
EP-0260305-A4 QUINOLINYL ETHER TETRAZOLE AS AGENT FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS. RORER INTERNAT OVERSEAS INC (US) 1988-07-04 EP disclosed
EP-0260305-A1 QUINOLINYL ETHER TETRAZOLE AS AGENT FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS. RORER INT OVERSEAS (US) 1988-03-23 EP disclosed
WO-1987005510-A1 QUINOLINYL ETHER OR THIOETHER TETRAZOLES AS AGENTS FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-09-24 WO disclosed