Butane

Butane

SCHEMBL3693274

CCC(N)OC(N)CC.CCCC

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL900364 0.93
Butane SCHEMBL9701037 0.83 TSHR (0.39) TSHR
SCHEMBL6003730 0.78 LMNA (0.33) TSHRALDH1A1
SCHEMBL10436477 0.78
SCHEMBL3318727 0.78 LMNA (0.33) TSHRALDH1A1
SCHEMBL1778841 0.78
SCHEMBL5865351 0.78 TSHR (0.32) TSHRALDH1A1TDP1
SCHEMBL11348336 0.77 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL25464882 0.75
SCHEMBL5066824 0.75 LAP3 (0.31) TSHR

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-7674860-B2 Redispersible powder and its aqueous dispersion, preparation, process and use AKZO NOBEL N.V. (NL) 2010-03-09 US disclosed
US-20080090980-A1 Redispersible powder and its aqueous dispersion, preparation, process and use NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2008-04-17 US disclosed