SCHEMBL278867

SCHEMBL278867

CC(C)NC(CCC(=O)C(C)C)C(=O)C(C)C

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
SCHEMBL22844805 1.00
SCHEMBL16248525 0.90 NOD1 (0.36)
SCHEMBL16248526 0.90 NOD1 (0.36)
SCHEMBL22844806 0.89 CTSK (0.32)
SCHEMBL19543400 0.89 CTSK (0.32)
SCHEMBL20099412 0.87 NOD1 (0.34)
SCHEMBL22479743 0.84 FOLH1 (0.44)
SCHEMBL21152873 0.84 FOLH1 (0.44)
SCHEMBL7602617 0.84 FOLH1 (0.44)
SCHEMBL12766314 0.84 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023165987-A1 PRECURSOR MARKERS AND RADIOTRACERS WITH THREE OR MORE TARGETING VECTORS FOR THERANOSTICS USED IN NUCLEAR MEDICINE Atoms for Cure GmbH (DE) 2023-09-07 WO disclosed
WO-2023057813-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed
WO-2022258637-A1 TRISLINKER-CONJUGATED DIMERIC LABELLING PRECURSORS AND RADIOTRACERS DERIVED THEREFROM Atoms for Cure GmbH (DE) 2022-12-15 WO disclosed
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-8486372-B2 Cyclic azapeptides as integrin markers and methods of using SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-07-16 US disclosed
US-8133472-B2 Cyclopeptides containing RGD mimetics as imaging markers for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-03-13 US disclosed
US-8043601-B2 Cyclic azapeptides as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-25 US disclosed
US-20110256057-A1 Cyclic Azapeptides as Integrin Markers and Methods of Using SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-10-20 US disclosed
US-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 US disclosed
US-7666392-B2 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-02-23 US disclosed
US-20090074664-A1 CYCLIC AZAPEPTIDES AS INTEGRIN MARKERS SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-03-19 US disclosed
US-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-09-04 US disclosed
US-20080170992-A1 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-07-17 US disclosed