SCHEMBL3594632

SCHEMBL3594632

CCn1cc[nH]c1=O

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
SCHEMBL24188802 0.82 — —
SCHEMBL4793145 0.81 KMT2A (0.38) —
SCHEMBL13584600 0.79 KMT2A (0.40) —
SCHEMBL27572278 0.76 PDE4B (0.41) —
SCHEMBL28051348 0.73 — —
SCHEMBL4448355 0.73 — —
SCHEMBL27590844 0.73 HTT (0.44) —
SCHEMBL175260 0.71 — —
SCHEMBL27783066 0.70 DUT (0.38) —
SCHEMBL28051378 0.70 ALDH1A1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 — — WO claimed
JP-55094379-A — — None — — JP disclosed
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 — — WO disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 — — US disclosed
WO-2022078407-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2022-04-21 — — WO disclosed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 — — EP disclosed
US-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-09-24 — — US disclosed
CN-105473558-B Aromatic yl sulfide derivative and aryl oxysulfide derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-04-19 — — CN disclosed
US-9981940-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 — — US disclosed
US-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE LYCERA CORPORATION 2018-04-26 — — US disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 — — WO disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 — — WO disclosed
US-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A 2007-02-15 — — US disclosed
CN-1411502-A Detergent composition ARAKAWA CHEM IND (JP) 2003-04-16 — — CN disclosed
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 — — US disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 — — US disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 — — EP disclosed
US-4845233-A TOPICAL PENETRATION ENHANCER FOR PHYSIOLOGICALLY ACTIVE AGENTS IPRX, INC. (US) 1989-07-04 — — US disclosed
US-4797409-A FUNGICIDES, YEAST INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-10 — — US disclosed
JP-S5594379-A PREPARATION OF GLYCIDYL METHACRYLATE DAICEL CHEM IND LTD 1980-07-17 — — JP disclosed
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