Chloromethane

Chloromethane

SCHEMBL4057299

C=CC(=O)OC(C)NCC.CCl

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.41
HPGD P15428 1/20 0.36
THRB P10828 2/20 0.34
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1399511 0.96 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL305936 0.81 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL5576390 0.81 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8605064 0.80 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11320956 0.80 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL278175 0.79 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3281067 0.79 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL377120 0.79 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL11870880 0.79 TSHR (0.39) TSHRHPGD
Chloromethane SCHEMBL19549279 0.79 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53

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
EP-2109441-A2 POLYSILOXANE BLOCK COPOLYMERS Ciba Holding Inc. (CH) 2009-10-21 EP disclosed
WO-2008095822-A2 POLYSILOXANE BLOCK COPOLYMERS CIBA HOLDING INC. (CH) 2008-08-14 WO disclosed