SCHEMBL1812876

SCHEMBL1812876

O=[C]c1cncc(Br)c1

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
SCHEMBL8976596 0.82
SCHEMBL30603171 0.76
SCHEMBL5203421 0.76 HTT (0.45)
SCHEMBL1476199 0.76
SCHEMBL248926 0.76
SCHEMBL931245 0.73 GRM5 (0.51)
SCHEMBL8486570 0.73 GRM5 (0.47)
SCHEMBL4974 0.73
SCHEMBL14843947 0.71
SCHEMBL1040544 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-2056897-B1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES B V (NL) 2009-12-30 EP claimed
US-20090258053-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEEVICES BV (NL) 2009-10-15 US claimed
EP-2056897-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL Blue Medical Devices B.V. (NL) 2009-05-13 EP claimed
US-20080050413-A1 Medical stent provided with a combination of melatonin and paclitaxel BLUE MEDICAL DEVICES BV (NL) 2008-02-28 US claimed
WO-2008023038-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES BV (NL) 2008-02-28 WO claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0271059-B1 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-20 EP claimed
EP-0251732-B1 PROCESS FOR THE PREPARATION OF 2-HALOGENATED ERGOLINE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1993-04-28 EP claimed
US-4971984-A Cardiovascular disorders, hypotensive agints BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1990-11-20 US claimed
US-4870179-A Process for preparing lysergol derivatives INVERNI DELLA BEFFA SPA (IT) 1989-09-26 US claimed
EP-0171988-B1 A PROCESS FOR PREPARING LYSERGOL DERIVATIVES INVERNI DELLA BEFFA S.P.A. (IT) 1989-06-21 EP claimed
US-4816587-A Process for the preparation of 2-halogenated ergoline derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-03-28 US claimed
EP-0251732-A2 Process for the preparation of 2-halogenated ergoline derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1988-01-07 EP claimed
EP-0171988-A2 A process for preparing lysergol derivatives INVERNI DELLA BEFFA S.P.A. (IT) 1986-02-19 EP claimed