SCHEMBL31300000

SCHEMBL31300000

CC1CCN(OC(=O)CC(O)(CC(=O)O)C(=O)O)C(C)(O)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
Citric Acid SCHEMBL535786 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL5805417 0.72 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL4110522 0.69 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL7038092 0.68 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL987164 0.67 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL7531334 0.67 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL28246170 0.67 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL27541744 0.66 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL5874246 0.66 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL2829360 0.62 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMAPTALOX15

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-4110276-B1 COMPOSITIONS COMPRISING ALKANEDIOLS SYMRISE AG (DE) 2026-01-28 EP disclosed
EP-4477264-A2 COMPOSITIONS COMPRISING ONE OR MORE (BIO)-ALKANEDIOLS WITH ACTIVE INGREDIENTS Symrise AG (DE) 2024-12-18 EP disclosed