Butane

Butane

SCHEMBL27972780

CCC(C)c1ccccc1O.CCCC

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.91
GABRA1 P14867 2/20 0.58
GABRB2 P47870 2/20 0.58
RORC P51449 1/20 0.47
POLB P06746 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
CA2 P00918 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
BLM P54132 2/20 0.38
HIF1A Q16665 2/20 0.38

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
SCHEMBL15485172 0.96 TSHR (1.00) TSHRGABRA1GABRB2RORCPOLB
SCHEMBL282162 0.96 TSHR (1.00) TSHRGABRA1GABRB2RORCPOLB
SCHEMBL20721726 0.96 TSHR (1.00) TSHRGABRA1GABRB2RORCPOLB
Hydrochloric Acid SCHEMBL7075092 0.93 TSHR (0.95) TSHRGABRA1GABRB2RORCPOLB
Benzene SCHEMBL1836843 0.93 TSHR (0.95) TSHRGABRA1GABRB2RORCPOLB
Ammonia Solution, Strong SCHEMBL27764945 0.93 TSHR (0.95) TSHRGABRA1GABRB2RORCPOLB
SCHEMBL29178964 0.93 TSHR (0.95) TSHRGABRA1GABRB2RORCPOLB
SCHEMBL27887359 0.93 TSHR (0.95) TSHRGABRA1GABRB2RORCPOLB
Hydrochloric Acid SCHEMBL6040007 0.91 TSHR (0.91) TSHRGABRA1GABRB2RORCPOLB
Formaldehyde SCHEMBL675026 0.89 TSHR (0.88) TSHRGABRA1GABRB2RORCPOLB

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
CN-104017531-A Hydrolysis-resistant photovoltaic back sheet adhesive and preparation method thereof ZHONGTIAN PHOTOVOLTAIC MATERIALS CO LTD 2014-09-03 CN claimed
CN-104017531-A Hydrolysis-resistant photovoltaic back sheet adhesive and preparation method thereof ZHONGTIAN PHOTOVOLTAIC MATERIALS CO LTD 2014-09-03 CN disclosed