SCHEMBL7618921

SCHEMBL7618921

O=C(O)C(Cl)(Cl)CCCCCCCCCCCCCCBr

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TBXAS1 P24557 2/20 0.31

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
SCHEMBL7618524 1.00 ACLY (0.36) ACLYACACBACACAALDH1A1TP53
SCHEMBL7613790 1.00 ACLY (0.36) ACLYACACBACACAALDH1A1TP53
SCHEMBL7615256 1.00 ACLY (0.36) ACLYACACBACACAALDH1A1TP53
SCHEMBL7615278 1.00 ACLY (0.36) ACLYACACBACACAALDH1A1TP53
SCHEMBL9620360 0.88 ACLY (0.43) ACLYACACBACACAALDH1A1TP53
SCHEMBL9060464 0.88 ACLY (0.43) ACLYACACBACACAALDH1A1TP53
SCHEMBL9620660 0.88 ACLY (0.43) ACLYACACBACACAALDH1A1TP53
SCHEMBL9620785 0.88 ACLY (0.43) ACLYACACBACACAALDH1A1TP53
SCHEMBL9620703 0.85 TSHR (0.44) ACLYACACBACACAALDH1A1TP53
SCHEMBL7619935 0.79 ACLY (0.38) ACLYACACBACACAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1105558-C 2,2-dichloroalkane carboxylic acids, process for preparing the same, medicament containing the same and use for treating insulin resistance ROCHE DIAGNOSTICS GMBH (DE) 2003-04-16 CN disclosed
EP-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
US-5968982-A TREATMENT OF DIABETES ROCHE DIAGNOSTICS GMBH (DE) 1999-10-19 US disclosed
CN-1171050-A 2, 2-Dichloroalkanecarboxylic acids, method for the production thereof, medicaments containing the same and use thereof for the treatment of insulin resistance BOEHRINGER MANNHEIM GMBH (DE) 1998-01-21 CN disclosed
EP-0790824-A1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE Roche Diagnostics GmbH (DE) 1997-08-27 EP disclosed
WO-1996015784-A2 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE BOEHRINGER MANNHEIM GMBH (DE) 1996-05-30 WO disclosed