SCHEMBL3885137

SCHEMBL3885137

Cc1ccccc1C(C)P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.59
ESR1 P03372 1/20 0.43
SRC P12931 1/20 0.39
FDPS P14324 3/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL28980047 1.00 ACP3 (0.59) ACP3ESR1SRCFDPSPTPN2
SCHEMBL24673187 0.83 GABRA1 (0.56) ACP3ESR1SRCPTPN2PTPN1
SCHEMBL16859929 0.81 ACP3 (0.79) ACP3ESR1SRCFDPSALDH1A1
SCHEMBL3893129 0.79 ACP3 (0.54) ACP3ESR1SRCFDPSALDH1A1
SCHEMBL28673888 0.78 HTT (0.44) ACP3SRCPTPN2PTPN1ALDH1A1
SCHEMBL10866100 0.78 ACP3 (0.41) ACP3SRCFDPSPTPN2PTPN1
SCHEMBL3884606 0.76 ACP3 (0.61) ACP3ESR1SRCFDPS
SCHEMBL28980055 0.75 ACP3 (0.55) ACP3ALDH1A1
SCHEMBL28980057 0.75 ACP3 (0.55) ACP3ALDH1A1
SCHEMBL3884830 0.75 ACP3 (1.00) ACP3ESR1SRCGAA

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
CN-115724887-A Process for the synthesis of chiral alpha-phosphorus compounds 武汉大学 2023-03-03 CN disclosed
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed