SCHEMBL654886

SCHEMBL654886

Cc1ccc([NH])c(C)c1

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
SCHEMBL10803188 0.79
SCHEMBL654475 0.77
SCHEMBL49448 0.77 ALDH1A1 (0.48)
SCHEMBL3610891 0.72
SCHEMBL9479496 0.72
SCHEMBL9478896 0.72
SCHEMBL653334 0.72
SCHEMBL6996374 0.72
SCHEMBL6927356 0.72
SCHEMBL4062716 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 481 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112789742-B Organic light emitting device 株式会社LG化学 2024-07-09 CN claimed
CN-112608253-B Organic compound, organic light-emitting element, display device, image pickup device, illumination device, and moving object 佳能株式会社 2024-04-09 CN claimed
CN-116019794-A Application of amino fullerene material in preparation of exosome PD-L1 inhibition drugs 中国科学院化学研究所 2023-04-28 CN claimed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US claimed
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-12-20 US claimed
EP-3217982-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-09-20 EP claimed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 WO claimed
EP-1024900-A4 METHODS AND APPARATUS FOR DETERMINING ANALYTES IN VARIOUS MATRICES SAFETY ASSOCIATES INC (US) 2006-02-15 EP claimed
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP claimed
US-20040197235-A1 Methods and apparatus for determining analytes in various matrices SAFETY ASSOCIATES, INC. 2004-10-07 US claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-1024900-A1 METHODS AND APPARATUS FOR DETERMINING ANALYTES IN VARIOUS MATRICES Safety Associates, Inc. (US) 2000-08-09 EP claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
WO-1999020396-A1 METHODS AND APPARATUS FOR DETERMINING ANALYTES IN VARIOUS MATRICES SAFETY ASSOCIATES, INC. (US) 1999-04-29 WO claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-4800201-A 1,4-thiazine derivative, and cardiotonic agent comprising it as effective component ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1989-01-24 US claimed
US-4248869-A FUNGICIDES SHIONOGI & CO., LTD. (JP) 1981-02-03 US claimed
US-4228165-A AGRICULTURAL FUNGICIDES SHIONOGI & CO., LTD. (JP) 1980-10-14 US claimed