Ether

Ether

SCHEMBL9736112

CCOCC.O=C(O)c1ccc(Br)c(Br)c1Br

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 3/20 0.37
HTT P42858 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CYP1A2 P05177 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL607237 0.84 CYP1A2 (0.48) TSHRKDM4EALDH1A1LCKFYN
SCHEMBL29045172 0.82 CYP1A2 (0.46) TSHRKDM4EALDH1A1LCKFYN
SCHEMBL7550971 0.81 HSD17B10 (0.51) HSD17B10TSHRKDM4EALDH1A1RAB9A
SCHEMBL29092380 0.76 TSHR (0.55) HSD17B10TSHRKDM4EALDH1A1KMT2A
SCHEMBL9736115 0.76 TSHR (0.55) HSD17B10TSHRKDM4EALDH1A1KMT2A
SCHEMBL29981799 0.76 CYP1A2 (0.58) TSHRKDM4EALDH1A1HPGDCYP1A2
SCHEMBL1372033 0.76 CYP1A2 (0.58) TSHRKDM4EALDH1A1HPGDCYP1A2
Dioxane SCHEMBL8130861 0.73 HSD17B10 (0.44) HSD17B10TSHRKDM4EPOLBALDH1A1
Ether SCHEMBL11447771 0.73 ALOX15 (0.37) KDM4EPOLBALDH1A1RAB9AKMT2A
SCHEMBL6425339 0.73 HSD17B10 (0.38) HSD17B10TSHRKDM4ETHRB

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-0365541-B1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO S.p.A. (IT) 1992-08-12 EP disclosed
US-5066823-A Rearrangement reaction, contrast agent for radiology BRACCO INDUSTRIA CHEMICA S.P.A. (IT) 1991-11-19 US disclosed
EP-0365541-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES. BRACCO IND CHIMICA SPA (IT) 1990-05-02 EP disclosed
WO-1988009328-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1988-12-01 WO disclosed