SCHEMBL1805415

SCHEMBL1805415

[2H]C([2H])C#CCC#CCCBr

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
SCHEMBL1803958 0.85
SCHEMBL14964575 0.82
SCHEMBL14964624 0.82
SCHEMBL14964655 0.82
SCHEMBL12621538 0.72 KDM4E (0.30)
SCHEMBL9786005 0.69
SCHEMBL1803936 0.67
SCHEMBL1801684 0.64
SCHEMBL3849656 0.62
SCHEMBL3842315 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2701696-A2 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY Retrotope, Inc. (US) 2014-03-05 EP disclosed
EP-2701697-A2 OXIDATIVE RETINAL DISEASES Retrotope, Inc. (US) 2014-03-05 EP disclosed
EP-2701698-A2 DISORDERS IMPLICATING PUFA OXIDATION Retrotope, Inc. (US) 2014-03-05 EP disclosed
EP-2701695-A2 NEURODEGENERATIVE DISORDERS AND MUSCLE DISEASES IMPLICATING PUFAS Retrotope, Inc. (US) 2014-03-05 EP disclosed
WO-2012148926-A2 NEURODEGENERATIVE DISORDERS AND MUSCLE DISEASES IMPLICATING PUFAS RETROTOPE, INC. (US) 2012-11-01 WO disclosed
WO-2012148927-A2 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY RETROTOPE, INC. (US) 2012-11-01 WO disclosed
WO-2012148930-A2 OXIDATIVE RETINAL DISEASES RETROTOPE, INC. (US) 2012-11-01 WO disclosed
WO-2012148929-A2 DISORDERS IMPLICATING PUFA OXIDATION RETROTOPE, INC. (US) 2012-11-01 WO disclosed
EP-2493296-A1 ALLEVIATING OXIDATIVE STRESS DISORDERS WITH PUFA DERIVATIVES Retrotope, Inc. (US) 2012-09-05 EP disclosed
WO-2011053870-A1 ALLEVIATING OXIDATIVE STRESS DISORDERS WITH PUFA DERIVATIVES RETROTOPE, INC. (US) 2011-05-05 WO disclosed