SCHEMBL25260910

SCHEMBL25260910

C=C(C#N)C(=O)O.C=C(C#N)C(=O)O.OCCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
DPP4 P27487 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
1,6-Hexanediol SCHEMBL1982872 1.00 GPR84 (0.41) GPR84FFAR1FFAR4ALDH1A1TSHR
SCHEMBL4579189 1.00 GPR84 (0.41) GPR84FFAR1FFAR4ALDH1A1TSHR
SCHEMBL1982601 1.00 GPR84 (0.41) GPR84FFAR1FFAR4ALDH1A1TSHR
SCHEMBL4581426 1.00 GPR84 (0.41) GPR84FFAR1FFAR4ALDH1A1TSHR
1,5-Pentanediol SCHEMBL25273701 1.00 GPR84 (0.41) GPR84FFAR1FFAR4ALDH1A1TSHR
SCHEMBL4581829 1.00 GPR84 (0.41) GPR84FFAR1FFAR4ALDH1A1TSHR
1,4-Butanediol SCHEMBL4580412 0.98 ALDH1A1 (0.39) GPR84FFAR1FFAR4ALDH1A1TSHR
1,3-Propanediol SCHEMBL4578759 0.93 ALDH1A1 (0.39) GPR84FFAR1FFAR4ALDH1A1TSHR
Octanol SCHEMBL28864643 0.90 TSHR (0.48) GPR84FFAR1FFAR4ALDH1A1TSHR
Ethylene Glycol SCHEMBL8420929 0.88 ALDH1A1 (0.41) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4194523-A1 CYANOACRYLATE ADHESIVE COMPOSITION Cuantum Medical Cosmetics, S.L. (ES) 2023-06-14 EP claimed
EP-4194523-A1 CYANOACRYLATE ADHESIVE COMPOSITION Cuantum Medical Cosmetics, S.L. (ES) 2023-06-14 EP disclosed