SCHEMBL12467341

SCHEMBL12467341

OC(=S)C1CCNCC1

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
SCHEMBL529491 0.77
SCHEMBL27905742 0.74
SCHEMBL1779021 0.74
Hydrochloric Acid SCHEMBL18043702 0.72 NOS2 (0.54)
SCHEMBL1478909 0.71
SCHEMBL1479134 0.71
Isonipecotic Acid SCHEMBL104297 0.71
SCHEMBL27642699 0.71
Isonipecotic Acid SCHEMBL2027408 0.71 TSHR (1.00)
SCHEMBL8242134 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546435-B2 Triazole derivatives with improved receptor activity and bioavailability properties as ghrelin antagonists of growth hormone secretagogue receptors AETERNA ZENTARIS GMBH (DE) 2013-10-01 US claimed
EP-2616070-A1 NOVEL TRIAZOLE DERIVATIVES WITH IMPROVED RECEPTOR ACTIVITY AND BIOAVAILABILITY PROPERTIES AS GHRELIN ANTAGONISTS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS Æterna Zentaris GmbH (DE) 2013-07-24 EP claimed
WO-2012035124-A1 NOVEL TRIAZOLE DERIVATIVES WITH IMPROVED RECEPTOR ACTIVITY AND BIOAVAILABILITY PROPERTIES AS GHRELIN ANTAGONISTS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2012-03-22 WO claimed
CN-110997693-A Tau aggregation inhibitors 阿德克斯公司 2020-04-10 CN disclosed
US-8546435-B2 Triazole derivatives with improved receptor activity and bioavailability properties as ghrelin antagonists of growth hormone secretagogue receptors AETERNA ZENTARIS GMBH (DE) 2013-10-01 US disclosed