SCHEMBL29285241

SCHEMBL29285241

CCP(=O)(O)OCCC#N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
PPARD Q03181 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL28068076 0.85 TSHR (0.39) TSHRMEN1KMT2AACHE
SCHEMBL29285234 0.80 TSHR (0.50) TSHRMEN1KMT2AACHE
SCHEMBL18686721 0.79 PPARD (0.42) TSHRPPARDLPAR3LPAR1LPAR2
Alcohol SCHEMBL2352329 0.79 LPAR3 (0.45) TSHRPPARDLPAR3LPAR1LPAR2
SCHEMBL27689139 0.78
SCHEMBL22652 0.78
SCHEMBL497349 0.78 P2RY14 (0.34) TSHR
Water SCHEMBL6908198 0.78 LPAR3 (0.41) LPAR3LPAR1LPAR2
SCHEMBL2032723 0.78 LPAR3 (0.35) TSHRLPAR3LPAR1LPAR2MEN1
SCHEMBL2030636 0.78 ACHE (0.38) TSHRPPARDLPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271360-A Fluorinated phosphate, preparation method thereof, nonaqueous electrolyte containing fluorinated phosphate and electrochemical device 深圳市研一新材料有限责任公司 2024-07-02 CN disclosed