SCHEMBL9349276

SCHEMBL9349276

C#COc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 5/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ AHR P35869 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL10509074 0.85 MAPT (0.39) CA1CA2CA9ALDH1A1TSHR
SCHEMBL10512706 0.81 NMT1 (0.34) —
SCHEMBL11037554 0.79 CYP2A6 (0.44) ALDH1A1TSHRHSD17B10HPGDTP53
SCHEMBL95386 0.75 CA1 (0.45) CA1CA2CA9ALDH1A1TSHR
SCHEMBL3805545 0.71 CA1 (0.38) CA1CA2CA9ALDH1A1TSHR
SCHEMBL3805546 0.70 HTT (0.45) CA1CA2CA9ALDH1A1TSHR
SCHEMBL9329848 0.70 HPGD (0.47) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL28548967 0.69 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1TSHR
SCHEMBL9320811 0.69 ALDH1A1 (0.50) CA1CA2CA9ALDH1A1TSHR
SCHEMBL3857385 0.67 CA1 (0.38) CA1CA2CA9ALDH1A1TSHR

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
EP-0404092-B1 A novel method of preparing phenoxy ethers for use as agrochemical intermediates MAKHTESHIM CHEM WORKS LTD (IL) 1994-08-31 — — EP claimed
EP-0403929-B1 A method of preparing phenoxy ethers for use as agrochemical intermediates MAKHTESHIM CHEM WORKS LTD (IL) 1994-08-31 — — EP claimed
WO-2023108677-A1 METHOD FOR PREPARING 2-(2,4,6-TRICHLOROPHENOXY)ETHYL CHLORIDE 台州学院 2023-06-22 — — WO disclosed
WO-2023108677-A1 METHOD FOR PREPARING 2-(2,4,6-TRICHLOROPHENOXY)ETHYL CHLORIDE 台州学院 2023-06-22 — — WO disclosed
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