SCHEMBL31171968

SCHEMBL31171968

CCCCCCC/C=C/C(=O)OCCCCO

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.58
ATM Q13315 1/20 0.55
FAAH O00519 1/20 0.49
APP P05067 3/20 0.48
ACHE P22303 6/20 0.47

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
SCHEMBL31171939 1.00 HCAR2 (0.58) HCAR2ATMFAAHAPPACHE
SCHEMBL31171977 1.00 HCAR2 (0.58) HCAR2ATMFAAHAPPACHE
SCHEMBL30899754 0.95 ATM (0.56) HCAR2ATMFAAHAPP
2E-Decenoic Acid SCHEMBL31171923 0.94 HCAR2 (0.65) HCAR2ATMFAAHAPP
SCHEMBL8032532 0.93 HCAR2 (0.66) HCAR2ATMFAAHAPP
SCHEMBL15365968 0.93 HCAR2 (0.66) HCAR2ATMFAAHAPP
SCHEMBL15365962 0.93 HCAR2 (0.66) HCAR2ATMFAAHAPP
SCHEMBL10857755 0.93 HCAR2 (0.66) HCAR2ATMFAAHAPP
SCHEMBL1572962 0.93 HCAR2 (0.66) HCAR2ATMFAAHAPP
SCHEMBL3016477 0.93 HCAR2 (0.66) HCAR2ATMFAAHAPP

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-2024234088-A1 SYSTEMS AND METHODS FOR AI-BASED IONIZABLE LIPID DEVELOPMENT FOR LIPID NANOPARTICLE (LNP)-BASED CARGO MOLECULE DELIVERY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-11-21 WO disclosed