SCHEMBL4453651

SCHEMBL4453651

BrC(Br)C1CCCCC1

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
SCHEMBL16933875 0.96
SCHEMBL9172129 0.89
SCHEMBL614313 0.81
SCHEMBL3811607 0.79 EPHX1 (0.41)
SCHEMBL8079276 0.79 EPHX1 (0.41)
SCHEMBL4454743 0.76 SHBG (0.33)
SCHEMBL16734999 0.76
SCHEMBL30895678 0.73
SCHEMBL909432 0.73
SCHEMBL14118516 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001875-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREATMENT OF PARKINSON'S DISEASE UNIV DUNDEE (GB) 2026-01-01 US disclosed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
EP-4522603-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE University Of Dundee (GB) 2025-03-19 EP disclosed
WO-2023218187-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE UNIVERSITY OF DUNDEE (GB) 2023-11-16 WO disclosed
EP-4276097-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE University Of Dundee (GB) 2023-11-15 EP disclosed
CN-111718369-B Novel bridged tetradentate fourth subgroup metal complex and preparation method and application thereof 山东京博中聚新材料有限公司 2023-06-13 CN disclosed
CN-111943974-B Metal complex, preparation method and application thereof 山东京博中聚新材料有限公司 2023-04-28 CN disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
WO-2007057640-A1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-05-24 WO disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
EP-1001961-B1 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES AND METHOD FOR PRODUCING SAME AVENTIS PHARMA GMBH (DE) 2005-01-26 EP disclosed
US-6756489-B1 PROTECTED MONOSACCHARIDES HAVING AN ALLYL PROTECTING GROUP, A SILANE-PROTECTED HYDROXY GROUP AND A CARBOXY OR AMIDE CONTAINING PROTECTIVE GROUP; EASILY MADE BY COMBINATORIAL CHEMISTRY; APPLICATIONS TO AUTOIMMUNE AND CANCER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-29 US disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed
EP-1001961-A2 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES, METHOD FOR PRODUCING SAME, THEIR USE AS MEDICINE OR DIAGNOSTIC AGENT, AS WELL AS MEDICINE CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2000-05-24 EP disclosed
WO-1999007718-A2 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES, METHOD FOR PRODUCING SAME, THEIR USE AS MEDICINE OR DIAGNOSTIC AGENT, AS WELL AS MEDICINE CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-02-18 WO disclosed
EP-0546639-B1 A process for the preparation of bisphenols SHELL INT RESEARCH (NL) 1997-04-09 EP disclosed
EP-0546639-A1 A process for the preparation of bisphenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-06-16 EP disclosed