SCHEMBL167989

SCHEMBL167989

C1=C[C]2CCC2C1

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
SCHEMBL5066474 0.83
SCHEMBL12465603 0.72 ALDH1A1 (0.34)
SCHEMBL3095100 0.69 ALDH1A1 (0.41)
SCHEMBL19463253 0.69
SCHEMBL1524597 0.65
SCHEMBL2878584 0.64
SCHEMBL1524983 0.62 ALDH1A1 (0.39)
SCHEMBL2878672 0.62 MAOA (0.33)
SCHEMBL7783727 0.62 ALDH1A1 (0.39)
SCHEMBL15653642 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130498-A1 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSHES INSTITUT FUR ERNAHRUNGSFORSCHUNG POTSDAM- REHBRUCKE (DE) 2010-05-27 US claimed
EP-2132564-A2 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke Stiftung des Öffentlichen Rechts (DE) 2009-12-16 EP claimed
WO-2008119527-A2 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POSTDAM-REHBRÜCKE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2008-10-09 WO claimed
EP-1975611-A1 Agonists of bitter taste receptors and uses thereof Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke-Stiftung des öffentlichen Rechts- Vertreten durch den Stiftungsvorstand (DE) 2008-10-01 EP claimed
US-20220390458-A1 FLUORESCENT PROBE AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2022-12-08 US disclosed
WO-2021058490-A2 FLUORESCENT PROBE AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-04-01 WO disclosed
EP-3795643-A1 FLUORESCENT PROBE AND APPLICATIONS THEREOF Centre National de la Recherche Scientifique (FR) 2021-03-24 EP disclosed
EP-3087078-B1 7-BETA-ALKYL ANALOGS OF ORVINOLS PURDUE PHARMA LP (US) 2019-05-15 EP disclosed
US-10253236-B2 Environmental friendly well treatment fluids comprising an ester AMRIL AG (CH) 2019-04-09 US disclosed
EP-3024910-B1 ENVIRONMENTAL FRIENDLY WELL TREATMENT FLUIDS COMPRISING AN ESTER AMRIL AG (CH) 2018-12-12 EP disclosed
US-10138207-B2 Benzomorphan analogs and the use thereof PURDUE PHARMA, L.P. (US) 2018-11-27 US disclosed
US-10130615-B2 Benzomorphan analogs and the use thereof PURDUE PHARMA L.P. (US) 2018-11-20 US disclosed
WO-2008119527-A2 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POSTDAM-REHBRÜCKE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2008-10-09 WO disclosed
WO-2008119526-A1 AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POTSDAM-REHBRÜCKE STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2008-10-09 WO disclosed
EP-1975612-A1 Agonists of bitter taste receptors and uses thereof Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke-Stiftung des öffentlichen Rechts- Vertreten durch den Stiftungsvorstand (DE) 2008-10-01 EP disclosed
EP-1975611-A1 Agonists of bitter taste receptors and uses thereof Deutsches Institut für Ernährungsforschung Potsdam -Rehbrücke-Stiftung des öffentlichen Rechts- Vertreten durch den Stiftungsvorstand (DE) 2008-10-01 EP disclosed
WO-2007115805-A2 AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-18 WO disclosed
WO-2007113005-A2 2-SUBSTITUTED 3-AMINOSULFONYL-THIOPHENE DERIVATIVES AS AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-11 WO disclosed
US-4552888-A Ascorbic acid ethers in angiogene ELI LILLY AND COMPANY (US) 1985-11-12 US disclosed
EP-0086554-A1 Ascorbic acid ethers and related compounds ELI LILLY AND COMPANY (US) 1983-08-24 EP disclosed