SCHEMBL2053929

SCHEMBL2053929

Cc1c(I)cc[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
SCHEMBL791101 0.75
SCHEMBL18257252 0.73 PDE3B (0.40)
SCHEMBL15059285 0.71
SCHEMBL20571613 0.71
SCHEMBL13906253 0.71
SCHEMBL23986622 0.71
SCHEMBL12984655 0.71
SCHEMBL7422522 0.71
SCHEMBL1958166 0.71
SCHEMBL23674780 0.71 PARP1 (0.32)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220541-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 WO disclosed
EP-3472150-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF Fronthera U.S. Pharmaceuticals LLC (US) 2019-04-24 EP disclosed
EP-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP disclosed
WO-2017218960-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2017-12-21 WO disclosed
EP-3063139-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-09-07 EP disclosed
US-9180123-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-11-10 US disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2015-07-02 US disclosed
WO-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 US disclosed
US-9018384-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-04-28 US disclosed
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-11-20 US disclosed
EP-2512474-B1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2014-11-05 EP disclosed
US-8846933-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-09-30 US disclosed
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER (US) 2014-05-08 US disclosed
US-8664401-B2 N-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-03-04 US disclosed
EP-2512474-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-10-24 EP disclosed
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. 2012-10-11 US disclosed
WO-2011073845-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-06-23 WO disclosed