Butyl Chloride

Butyl Chloride

SCHEMBL875688

CCCCCCCCN(CCCCCCCC)CCCCCCCC.CCCCCl

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
ALDH1A1 P00352 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
DNM1 Q05193 3/20 0.48
THRB P10828 1/20 0.42
KCNH2 Q12809 3/20 0.40
KDM5A P29375 2/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL28571943 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL28820796 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL28573898 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL1885691 0.95 TSHR (0.68) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL21842845 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL28337020 0.95 TSHR (0.68) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL1883604 0.95 TSHR (0.68) TSHRALDH1A1TDP1DNM1THRB
SCHEMBL28573267 0.95 TSHR (0.60) TSHRALDH1A1TDP1DNM1THRB
Bromide SCHEMBL5551000 0.92 TSHR (0.65) TSHRALDH1A1TDP1DNM1THRB
Bromide SCHEMBL5550586 0.92 TSHR (0.65) TSHRALDH1A1TDP1DNM1THRB

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
WO-2014205568-A1 PROCESSES FOR PREPARING AZIDATED COPOLYMERS LANXESS INC. (CA) 2014-12-31 WO disclosed
WO-2012038413-A1 PROCESS FOR REDUCING THE HALOGEN CONTENT OF A HYDROCARBON PRODUCT STREAM BY MIXING WITH AN AQEOUS CAUSTIC SOLUTION IN THE PRESENCE OF A PHASE TRANSFER CATALYST SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2012-03-29 WO disclosed