SCHEMBL9843589

SCHEMBL9843589

ClN(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
SCHEMBL1831764 0.75
SCHEMBL3110360 0.75
SCHEMBL10445222 0.73 CA12 (0.44)
SCHEMBL18812 0.73
SCHEMBL724771 0.73
SCHEMBL11637039 0.73 ALDH1A1 (0.41)
SCHEMBL8061910 0.73 ALDH1A1 (0.44)
SCHEMBL9777500 0.71 ALDH1A1 (0.41)
Hydrochloric Acid SCHEMBL8530750 0.71 ALDH1A1 (0.39)
SCHEMBL28381795 0.71 ALDH1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP claimed
US-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 US claimed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 US claimed
EP-2877468-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2015-06-03 EP claimed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US claimed
EP-2731436-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-05-21 EP claimed
WO-2014009794-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-01-16 WO claimed
US-8609653-B2 Azaindole compounds and methods for treating HIV GLAXOSMITHKLINE LLC (US) 2013-12-17 US claimed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US claimed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO claimed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US claimed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 WO claimed
CN-115666653-A Antibody-drug conjugates 斯皮雷亚有限公司 2023-01-31 CN disclosed
CN-111675635-A Compounds and methods for treating infections 尼奥酷里私人有限公司 2020-09-18 CN disclosed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP disclosed
US-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 US disclosed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US disclosed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 WO disclosed
EP-0421216-A2 Process for the preparation of 2,4, resp. 2,6 dihalo-aniline BAYER AG (DE) 1991-04-10 EP disclosed