SCHEMBL28018693

SCHEMBL28018693

Fc1ccc(F)cc1.O=[SH](=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ ORAI1 Q96D31 1/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ ORAI3 Q9BRQ5 1/20 0.43
▸ TRPV6 Q9H1D0 1/20 0.43
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ BAD Q92934 1/20 0.42
▸ KCNN4 O15554 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 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
SCHEMBL28719842 0.76 CES2 (0.37) CES2CES1CA1CA2ORAI1
Formaldehyde SCHEMBL27657862 0.72 CA1 (0.50) CES2CES1CA1CA2ORAI1
Methyl Alcohol SCHEMBL27383192 0.72 ACHE (0.60) CES2CES1CA1CA2ORAI1
Formaldehyde SCHEMBL27262524 0.72 CA1 (0.50) CES2CES1CA1CA2ORAI1
Formic Acid SCHEMBL27369254 0.71 CES2 (0.50) CES2CES1CA1CA2ORAI1
Urea SCHEMBL27494997 0.71 KCNN4 (0.59) CES2CES1CA1CA2BCL2L1
SCHEMBL6560890 0.71 — —
Bromide SCHEMBL6770232 0.71 — —
Fluoride SCHEMBL21816906 0.71 CA1 (0.57) CES2CES1CA1CA2ORAI1
Ammonia Solution, Strong SCHEMBL27741826 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105264440-A Resist composition MITSUBISHI GAS CHEMICAL CO 2016-01-20 — — CN disclosed
CN-104995559-A Resist composition, resist pattern formation method, and polyphenol derivative used in same MITSUBISHI GAS CHEMICAL CO 2015-10-21 — — CN disclosed
CN-104737073-A Resist composition MITSUBISHI GAS CHEMICAL CO 2015-06-24 — — CN disclosed
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