SCHEMBL31323835

SCHEMBL31323835

O=C(OCCCCCCN(CCCCO)CCCCCCOC(=O)C1CCCCCCCCCCCCCC1)C1CCCCCCCCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.39
▸ CHRM4 P08173 4/20 0.39
▸ CHRM1 P11229 4/20 0.39
▸ CHRM3 P20309 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ FKBP1A P62942 1/20 0.35
▸ EPHX1 P07099 2/20 0.35
▸ ACHE P22303 5/20 0.33

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
SCHEMBL31323936 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL18669067 0.89 ALDH1A1 (0.42) ALDH1A1FKBP1AEPHX1
SCHEMBL31323801 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL31323881 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL18668859 0.87 ALDH1A1 (0.40) ALDH1A1FKBP1AEPHX1ACHE
SCHEMBL31323824 0.86 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL28099782 0.83 ALDH1A1 (0.46) ALDH1A1FKBP1AEPHX1
SCHEMBL31323898 0.82 ALDH1A1 (0.37) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL13291850 0.82 ALDH1A1 (0.47) ALDH1A1FKBP1AEPHX1
SCHEMBL31323831 0.82 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3ALDH1A1

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-2025035202-A1 IONIZABLE LIPIDS COMPRISING MACROCYCLIC RINGS FOR THE DELIVERY OF THERAPEUTIC AGENTS NANOVATION THERAPEUTICS INC. (CA) 2025-02-20 — — WO disclosed
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