SCHEMBL26692829

SCHEMBL26692829

CC(Br)OCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NAAA Q02083 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TACR1 P25103 2/20 0.39
LTA4H P09960 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL7863823 0.85 TSHR (0.54) TSHRNAAATDP1L3MBTL1CA1
SCHEMBL360511 0.82 TSHR (0.48) TSHRTDP1L3MBTL1HTTKMT2A
SCHEMBL17697791 0.81 TSHR (0.50) TSHRNAAATDP1L3MBTL1CA1
SCHEMBL22890912 0.80 TSHR (0.48) TSHRNAAATDP1L3MBTL1CA1
SCHEMBL21647504 0.80 TSHR (0.48) TSHRNAAATDP1L3MBTL1CA1
SCHEMBL1594904 0.80 TSHR (0.48) TSHRNAAATDP1L3MBTL1CA1
SCHEMBL38655715 0.80 TSHR (0.48) TSHRNAAATDP1L3MBTL1CA1
SCHEMBL1991359 0.79 TSHR (0.78) TSHRNAAATDP1L3MBTL1CA1
SCHEMBL5240701 0.79 TSHR (0.52) TSHRNAAATDP1L3MBTL1CA1
SCHEMBL21068961 0.79 TSHR (0.47) TSHRNAAACA1CA2CA7

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
WO-2023224093-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM 株式会社レゾナック 2023-11-23 WO disclosed