SCHEMBL27747641

SCHEMBL27747641

O=C(Br)CBr.O=C(Cl)CCl

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5267356 0.87 TSHR (0.41) TSHRTRPA1ALDH1A1
Methylene Chloride SCHEMBL27590467 0.83
SCHEMBL1332028 0.79
SCHEMBL1331137 0.79
SCHEMBL34263 0.79
SCHEMBL27679189 0.79 TSHR (0.54) TSHRTRPA1ALDH1A1
SCHEMBL9584 0.79
SCHEMBL1331358 0.79
SCHEMBL10655808 0.78
Methylene Chloride SCHEMBL27901878 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101486718-B Process for preparing cefathiamidine GUANZHOU BAIYUNSHAN CHEMICAL PHARMACEUTICAL FACTORY GUANGZHOU BAIYUNSHAN PHARMACEUTICAL CO LTD 2010-12-08 CN disclosed
CN-101486718-A Process for preparing cefathiamidine GUANGZHOU BAIYUNSHAN PHARMACEU (CN) 2009-07-22 CN disclosed