SCHEMBL449058

SCHEMBL449058

Brc1[c]ccnc1

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
SCHEMBL2428208 0.67
SCHEMBL387530 0.67
SCHEMBL1448773 0.67
SCHEMBL1397535 0.67
SCHEMBL119842 0.67
SCHEMBL4465626 0.67
SCHEMBL4463520 0.63
SCHEMBL884933 0.63
SCHEMBL4196570 0.62
SCHEMBL433729 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036291-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 US claimed
CN-118005611-A Probes for imaging huntingtin CHDI基金会股份有限公司 2024-05-10 CN claimed
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-07-21 US claimed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
US-20210379211-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-09 US claimed
WO-2020219591-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-29 WO claimed
EP-3186241-B1 PROBES FOR IMAGING HUNTINGTON PROTEIN CHDI FOUNDATION INC (US) 2020-10-07 EP claimed
US-10471061-B2 Galactokinase inhibitors for the treatment and prevention of associated diseases and disorders THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-11-12 US claimed
US-20190030031-A1 GALACTOKINASE INHIBITORS FOR THE TREATMENT AND PREVENTION OF ASSOCIATED DISEASES AND DISORDERS THE US OF AMERICA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-01-31 US claimed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US claimed
WO-2008125811-A1 N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-23 WO claimed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 US claimed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US claimed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP claimed
CN-1169792-C Substituted vinylpyridine derivatives and medicaments containing them ������ҩ��ʽ���� 2004-10-06 CN claimed
WO-2001049690-A1 9-AZABICYCLO[4.2.1]NON-2-ENE DERIVATIVES AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF BRISTOL (GB) 2001-07-12 WO claimed