SCHEMBL2058641

SCHEMBL2058641

O=c1[nH]cncc1I

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
SCHEMBL4451404 0.82 CHEK1 (0.34)
SCHEMBL1771094 0.70
SCHEMBL312270 0.70
Fluoxidine SCHEMBL1369498 0.70
SCHEMBL88588 0.70
SCHEMBL2421685 0.70
SCHEMBL849426 0.70
Bromide SCHEMBL1938531 0.68
Hydrochloric Acid SCHEMBL1938635 0.68
SCHEMBL834961 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325486-B1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIV ORLEANS (FR) 2023-05-24 EP disclosed
EP-3325486-B1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIV ORLEANS (FR) 2023-05-24 EP disclosed
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores UNIVERSITE D'ORLEANS (FR) 2021-03-23 US disclosed
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores UNIVERSITE D'ORLEANS (FR) 2021-03-23 US disclosed
WO-2018143893-A1 IDOXURIDINE AND ITS ANALOGS AS NEUROPROTECTANS FOR THE TREATMENT OF PARKINSONISM SVENNINGSSON PER (SE) 2018-08-09 WO disclosed
US-20180194997-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-07-12 US disclosed
EP-3325486-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES Universite D'Orleans (FR) 2018-05-30 EP disclosed
WO-2017013135-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIVERSITE D'ORLEANS (FR) 2017-01-26 WO disclosed
WO-2017013135-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIVERSITE D'ORLEANS (FR) 2017-01-26 WO disclosed
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
CN-1351592-A Acyl derivatives for the treatment of VLA-4 related diseases ELAN PHARM INC (US) 2002-05-29 CN disclosed
US-20020052470-A1 Alpha amino acid derivatives--inhibitors of leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-02 US disclosed
US-20020052375-A1 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-02 US disclosed
WO-2002008202-A2 ALPHA AMINO ACID DERIVATIVES--INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
WO-2002008203-A2 3-(HETEROARYL) ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed