SCHEMBL18734948

SCHEMBL18734948

CCC(=O)NC(C(=O)N(CC)CC)C(C)SC(=O)CC(=O)C(=O)OC

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
SCHEMBL18734949 0.90 — —
SCHEMBL18734933 0.87 — —
SCHEMBL18735174 0.87 — —
SCHEMBL18734930 0.85 — —
SCHEMBL18735146 0.82 LMNA (0.32) —
SCHEMBL18735191 0.82 GAA (0.35) —
SCHEMBL18735319 0.82 KMT2A (0.31) —
SCHEMBL18734959 0.80 — —
SCHEMBL18734929 0.78 METAP2 (0.30) —
SCHEMBL18734947 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060400-A1 PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF DISESASES RELATED TO MITOCHONDRIAL DYSFUNCTIONS NEUROVIVE PHARMACEUTICAL AB (SE) 2017-04-13 — — WO disclosed
Send feedback