SCHEMBL11714749

SCHEMBL11714749

FC(F)(F)OC(F)(F)C(F)(F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ PTPN1 P18031 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KCNN4 O15554 4/20 0.35
▸ KIF11 P52732 3/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ TDO2 P48775 2/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ PGK1 P00558 1/20 0.30
▸ PGK2 P07205 1/20 0.30

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
SCHEMBL9723026 0.76 ALDH1A1 (0.65) TSHRALDH1A1PTPN1MAPK1CA1
SCHEMBL11717621 0.76 CA1 (0.46) TSHRALDH1A1MAPK1CA1CA2
SCHEMBL27680948 0.75 TSHR (0.50) TSHRALDH1A1PTPN1MAPK1CA1
SCHEMBL2294141 0.74 CA1 (0.40) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL1436392 0.71 KCNN4 (0.52) TSHRALDH1A1PTPN1MAPK1CA1
SCHEMBL146900 0.71 TSHR (0.58) TSHRALDH1A1PTPN1MAPK1CA1
SCHEMBL21082645 0.71 TSHR (0.58) TSHRALDH1A1PTPN1MAPK1CA1
SCHEMBL17288747 0.71 TSHR (0.58) TSHRALDH1A1PTPN1MAPK1CA1
SCHEMBL4117010 0.69 ALDH1A1 (0.55) TSHRALDH1A1PTPN1MAPK1CA1
SCHEMBL30619668 0.69 TSHR (0.55) TSHRALDH1A1PTPN1MAPK1CA1

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
US-4031119-A LUBRICANTS, GREASES, SEALS PONOMAREV ALEXEI IVANOVICH 1977-06-21 — — US disclosed
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