SCHEMBL30801423

SCHEMBL30801423

CCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
CES2 O00748 1/20 0.47
EPHX1 P07099 1/20 0.46
TSHR P16473 3/20 0.44
CES1 P23141 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 6/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40

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
SCHEMBL30475147 1.00 NAAA (0.48) NAAACES2EPHX1TSHRCES1
SCHEMBL30528029 1.00 NAAA (0.48) NAAACES2EPHX1TSHRCES1
SCHEMBL30475145 1.00 NAAA (0.48) NAAACES2EPHX1TSHRCES1
SCHEMBL2690623 1.00 NAAA (0.48) NAAACES2EPHX1TSHRCES1
SCHEMBL30475146 1.00 NAAA (0.48) NAAACES2EPHX1TSHRCES1
SCHEMBL2689547 0.98 NAAA (0.46) NAAACES2EPHX1TSHRCES1
SCHEMBL30655849 0.95 NAAA (0.47) NAAACES2EPHX1TSHRCES1
SCHEMBL30655745 0.95 NAAA (0.47) NAAACES2EPHX1TSHRCES1
SCHEMBL5163852 0.93 NAAA (0.46) NAAACES2EPHX1TSHRCES1
SCHEMBL31272734 0.93 NAAA (0.46) NAAACES2EPHX1TSHRCES1

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
CN-119804691-A Method for comprehensively identifying PFAS in environment by combining targeted analysis, suspicious screening and non-targeted identification 中国科学院生态环境研究中心 2025-04-11 CN disclosed
US-20240084343-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI INC (US) 2024-03-14 US disclosed