SCHEMBL5554879

SCHEMBL5554879

CC1=CC=C(F)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
SCHEMBL2531786 0.80
SCHEMBL20108499 0.70
SCHEMBL18942790 0.67
SCHEMBL18753213 0.67
SCHEMBL5980928 0.66 ACHE (0.39)
SCHEMBL5978331 0.66 ACHE (0.39)
SCHEMBL13698996 0.65
SCHEMBL12166378 0.65
SCHEMBL5980853 0.65 PTPN1 (0.33)
SCHEMBL13699082 0.65 PTPN1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-10961293-B2 Cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICS NV (BE) 2021-03-30 US disclosed
WO-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 WO disclosed
US-20190345214-A1 CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-11-14 US disclosed
EP-2691095-B1 IMIDAZOLYL AMIDE COMPOUNDS AND USES RELATED THERETO UNIV EMORY (US) 2017-07-05 EP disclosed
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
WO-2015090603-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2015-06-25 WO disclosed
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
EP-2325190-B1 Composition for charge-transporting film and ion compound, charge-transporting film and organic electroluminescent device using same MITSUBISHI CHEM CORP (JP) 2013-05-08 EP disclosed
WO-2012169571-A1 NOVEL N-(PYRIDIN-2-YL)ALKANAMIDE DERIVATIVE AND SHIP2 INHIBITOR CONTAINING SAME AS AN ACTIVE INGREDIENT 国立大学法人 富山大学 (JP) 2012-12-13 WO disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 US disclosed
WO-2008021788-A2 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (CN) 2008-02-21 WO disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
WO-2007100807-A2 NPC1L1 ORTHOLOGUES SCHERING CORPORATION (US) 2007-09-07 WO disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
EP-1238970-B9 CYCLOAMINE CCR5 RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2007-05-09 EP disclosed
WO-2007026097-A1 NOVEL INDOLE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 WO disclosed
EP-1757610-A1 CONDENSED PYRIMIDINE DERIVATIVE AND XANTHINE OXIDASE INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2007-02-28 EP disclosed
EP-1749817-A1 NEUROGENIC PAIN CONTROL AGENT COMPOSITION Maruishi Pharmaceutical Co., Ltd. (JP) 2007-02-07 EP disclosed
US-20070010509-A1 Cycloamine ccr5 receptor antagonists TEIJIN PHARMA LIMITED (JP) 2007-01-11 US disclosed