SCHEMBL25201953

SCHEMBL25201953

CCCCCCCCCCCCC1CCC(CC(C(=O)O)C(=O)O)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 2/20 0.41
PPARG P37231 1/20 0.40
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.39
PTAFR P25105 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL9288150 0.85 EPHX1 (0.42) EPHX1ALDH1A1CYP1A2PPARGTP53
SCHEMBL25222329 0.85 EPHX1 (0.40) EPHX1ALDH1A1CYP1A2PPARG
SCHEMBL25530839 0.84 EPHX1 (0.39) EPHX1ALDH1A1CYP1A2PPARGALOX5
SCHEMBL25204589 0.82 ALDH1A1 (0.51) ALDH1A1
SCHEMBL11052003 0.80 EPHX1 (0.64) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL25226343 0.80 ALOX5 (0.53) EPHX1ALDH1A1PPARGALOX5GPR84
SCHEMBL11032596 0.80 GPR84 (0.59) ALDH1A1CYP1A2PPARGALOX5GPR84
SCHEMBL8388442 0.80 GPR84 (0.59) ALDH1A1CYP1A2PPARGALOX5GPR84
SCHEMBL6473654 0.80 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL6479083 0.80 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2PPARGPTAFR

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