Chloromethane

Chloromethane

SCHEMBL8972585

CCl.CN(C)C=CC(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
RECQL P46063 2/20 0.45
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
MAPT P10636 7/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX12 P18054 1/20 0.42
ALDH1A1 P00352 7/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 3/20 0.36

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
SCHEMBL25246733 0.94
SCHEMBL1430406 0.94
SCHEMBL263813 0.94
Methylamine SCHEMBL27691440 0.89 TDP1 (0.46) TDP1RECQLTSHRTP53EGLN1
Dimethylformamide SCHEMBL27672372 0.86 TSHR (0.47) TDP1RECQLTSHRTP53EGLN1
SCHEMBL28350896 0.84 TDP1 (0.43) TDP1RECQLTSHRTP53EGLN1
Methacrylic Acid SCHEMBL27749358 0.80 TDP1 (0.40) TDP1RECQLTSHRTP53EGLN1
SCHEMBL29279310 0.79 TDP1 (0.39) TDP1RECQLTSHRTP53EGLN1
Chloromethane SCHEMBL1334446 0.76 TDP1 (0.56) TDP1RECQLMAPTHPGDCYP1A2
Fumaric Acid SCHEMBL9805248 0.75 TSHR (0.75) TDP1RECQLTSHRTP53EGLN1

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
US-5536482-A Process for pollution control NALCO FUEL TECH (US) 1996-07-16 US disclosed
WO-1994008895-A1 PROCESS AND COMPOSITION FOR POLLUTION CONTROL NALCO FUEL TECH (US) 1994-04-28 WO disclosed