SCHEMBL1426587

SCHEMBL1426587

C=CCC1[CH]C=CC=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
SCHEMBL6685872 1.00
SCHEMBL8733766 0.84
SCHEMBL14137725 0.72
SCHEMBL14480508 0.65
SCHEMBL5710534 0.63
SCHEMBL4784620 0.61
SCHEMBL17239392 0.60 NOS3 (0.30)
SCHEMBL17239391 0.60 NOS3 (0.30)
SCHEMBL19621655 0.59
SCHEMBL8205685 0.59 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071591-A2 ANTIMICROBIAL PEPTIDOMIMETICS Agency For Science, Technology And Research (SG) 2016-09-28 EP claimed
WO-2015112093-A2 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-30 WO claimed
EP-1303527-A1 MATRIX METALLOPROTEINASE INHIBITORS Leo Pharma A/S (DK) 2003-04-23 EP claimed
WO-2002006293-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA A/S (DK) 2002-01-24 WO claimed
WO-2013096093-A1 COMPOUNDS AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-27 WO disclosed
EP-2384321-A1 PYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH Bayer CropScience AG (DE) 2011-11-09 EP disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
EP-2301091-A1 CYCLIC PHOSPHAZENE COMPOUNDS AND USE THEREOF IN ORGANIC LIGHT EMITTING DIODES BASF SE (DE) 2011-03-30 EP disclosed
WO-2010076010-A1 PYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-07-08 WO disclosed
WO-2009153276-A1 CYCLIC PHOSPHAZENE COMPOUNDS AND USE THEREOF IN ORGANIC LIGHT EMITTING DIODES BASF SE (DE) 2009-12-23 WO disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
EP-1341786-A1 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN Grünenthal GmbH (DE) 2003-09-10 EP disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
WO-2002044171-A1 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN Grünenthal GmbH (DE) 2002-06-06 WO disclosed
EP-1189643-A1 OPHTHALMIC MOLDING Novartis AG (CH) 2002-03-27 EP disclosed
EP-1084428-A1 ORGANIC ARTICLES Novartis AG (CH) 2001-03-21 EP disclosed
WO-2001002032-A1 OPHTHALMIC MOLDING NOVARTIS AG (CH) 2001-01-11 WO disclosed
WO-1999057581-A1 ORGANIC ARTICLES NOVARTIS AG (CH) 1999-11-11 WO disclosed