Butane

Butane

SCHEMBL28490969

CCCC.CCCCOC(N)=S.NC(=S)OCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
ACHE P22303 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL331242 0.89 CA1 (0.50) TSHRCA12CA1CA2CA9
SCHEMBL1692167 0.89
SCHEMBL11808736 0.87 CA1 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL18447552 0.87 CA1 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL28857708 0.87 CA1 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL212535 0.87 CA1 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL820166 0.87 CA1 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL35746 0.87 CA1 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL2492944 0.87 CA1 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL11213345 0.87 CA1 (0.48) TSHRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112058502-B Efficient flotation collector for zinc sulfide and application thereof 中南大学 2021-08-27 CN claimed
CN-112058502-A Efficient flotation collector for zinc sulfide and application thereof 中南大学 2020-12-11 CN claimed
CN-115569739-A Zinc sulfide flotation collecting agent and application thereof 甘洛县尔呷地吉铅锌矿业有限公司 2023-01-06 CN disclosed
CN-112058502-B Efficient flotation collector for zinc sulfide and application thereof 中南大学 2021-08-27 CN disclosed
CN-112058502-B Efficient flotation collector for zinc sulfide and application thereof 中南大学 2021-08-27 CN disclosed
CN-112058502-A Efficient flotation collector for zinc sulfide and application thereof 中南大学 2020-12-11 CN disclosed
CN-112058502-A Efficient flotation collector for zinc sulfide and application thereof 中南大学 2020-12-11 CN disclosed