Butane

Butane

SCHEMBL8979979

C1CN(ON2CCOCC2)CCO1.CCCC

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 3/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL199474 0.86 MGLL (0.40) TSHRKMT2AMEN1GAALMNA
Hydrochloric Acid SCHEMBL27623956 0.83 MGLL (0.38) TSHRLMNASMN1; SMN2ALDH1A1USP2
SCHEMBL4912207 0.75 LMNA (0.39) TSHRKMT2AMEN1GAALMNA
SCHEMBL465014 0.74
Butane SCHEMBL28257686 0.72 MAPK1 (0.38) TSHRKMT2AMEN1GAALMNA
Butane SCHEMBL28166789 0.72 MAPK1 (0.38) TSHRKMT2AMEN1GAALMNA
SCHEMBL28331780 0.72 TSHR (0.42) TSHRKMT2AMEN1GAALMNA
SCHEMBL4911938 0.72 LMNA (0.49) TSHRKMT2AMEN1LMNASMN1; SMN2
Butane SCHEMBL28332281 0.70 GAA (0.42) TSHRGAALMNASMN1; SMN2ALDH1A1
SCHEMBL5141114 0.70 SMN1; SMN2 (0.43) TSHRKMT2AMEN1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114103359-A Carpet and preparation method and application thereof 广东富强科技股份有限公司 2022-03-01 CN claimed
EP-3717537-A1 REACTION SYSTEM FOR A 1K POLYURETHANE FOAM Covestro Deutschland AG (DE) 2020-10-07 EP disclosed
EP-3717538-A1 REACTION SYSTEM FOR A 1K POLYURETHANE RIGID FOAM Covestro Deutschland AG (DE) 2020-10-07 EP disclosed
CN-101657483-A Radiation-crosslinking and thermally crosslinking PU systems based on poly (epsilon-caprolactone) polyester polyols BAYER MATERIALSCIENCE AG 2010-02-24 CN disclosed
US-5527266-A MOISTURE-CURABLE; STORAGE STABILITY SAN-APRO LIMITED (JP) 1996-06-18 US disclosed