1,2,3-Trichloropropane

1,2,3-Trichloropropane

SCHEMBL8932779

C=COC(C)=O.ClCC(Cl)CCl

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 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
Methylene Chloride SCHEMBL8698498 0.84
Chloroform SCHEMBL10938693 0.84 ALDH1A1 (0.36) TDP1TSHRHSD17B10ALDH1A1
SCHEMBL11156949 0.83 CA1 (0.36) ALDH1A1
SCHEMBL11341334 0.82
Methylene Chloride SCHEMBL3716465 0.82 ALDH1A1 (0.35) TDP1TSHRHSD17B10ALDH1A1
1,2-Dichloroethane SCHEMBL7562998 0.82 ALDH1A1 (0.35) TDP1TSHRHSD17B10ALDH1A1
SCHEMBL11417304 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1438 0.79
SCHEMBL7529535 0.79 ALDH1A1 (0.44) TDP1TSHRTP53HSD17B10ALDH1A1
Chloroacetic Acid SCHEMBL23094081 0.78 TSHR (0.46) TDP1TSHRHSD17B10ALDH1A1

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-1996024558-A1 METHOD AND APPARATUS FOR THERMAL DECOMPOSITION AND SEPARATION OF COMPONENTS WITHIN AN AQUEOUS STREAM HPR CORPORATION (US) 1996-08-15 WO disclosed