SCHEMBL25204589

SCHEMBL25204589

CCCCCCCCCCOCC1CCC(CC(C(=O)O)C(=O)O)O1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 2/20 0.39
TSHR P16473 1/20 0.36
PLA2G2C Q5R387 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 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
SCHEMBL25234920 0.88 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2CES2PLA2G2C
SCHEMBL16834772 0.83 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2CES2TSHR
SCHEMBL16853064 0.83 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2CES2TSHR
SCHEMBL16834676 0.83 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2CES2TSHR
SCHEMBL16834837 0.83 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2CES2TSHR
SCHEMBL16834544 0.83 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2CES2TSHR
SCHEMBL16834667 0.83 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2CES2TSHR
SCHEMBL16853084 0.83 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2CES2TSHR
SCHEMBL16834836 0.83 ALDH1A1 (0.71) ALDH1A1TDP1SMN1; SMN2CES2TSHR
SCHEMBL25201953 0.82 EPHX1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051687-A1 MALONATE AND FURAN BASED SURFACTANTS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2025-02-13 US disclosed
EP-4433465-A1 MALONATE AND FURAN BASED SURFACTANTS Nederlandse Organisatie voor toegepast-natuurwetenschappelijk Onderzoek TNO (NL) 2024-09-25 EP disclosed
WO-2023091017-A1 MALONATE AND FURAN BASED SURFACTANTS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2023-05-25 WO disclosed
WO-2023091017-A1 MALONATE AND FURAN BASED SURFACTANTS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2023-05-25 WO disclosed