SCHEMBL3376457

SCHEMBL3376457

CC(C)COCOCOCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL723652 0.96 ALDH1A1 (0.38) ALDH1A1
SCHEMBL16267281 0.93 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16267272 0.93 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8893978 0.93 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16267701 0.93 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2096964 0.84
SCHEMBL4273964 0.82
SCHEMBL8811539 0.82
SCHEMBL10583089 0.82
SCHEMBL13316781 0.82 MAPK1 (0.41)

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
WO-2012083261-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-06-21 WO claimed
EP-3122754-A2 USE OF THE FL118 CORE CHEMICAL STRUCTURE PLATFORM TO GENERATE FL118 DERIVATIVES FOR TREATMENT OF HUMAN DISEASE Canget Biotekpharma, LLC (US) 2017-02-01 EP disclosed
WO-2015148415-A2 USE OF THE FL118 CORE CHEMICAL STRUCTURE PLATFORM TO GENERATE FL118 DERIVATIVES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA, LLC (US) 2015-10-01 WO disclosed
WO-2012083261-A1 BLOOD BRAIN BARRIER-PENETRATING OXIMES FOR CHOLISTENERASES REACTIVATION HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-06-21 WO disclosed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO disclosed