Isobutane

Isobutane

SCHEMBL586014

CC(C)C.CC1(O)CCOCC1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL562149 0.91
SCHEMBL22926475 0.76 LMNA (0.32) LMNACYP2C9
SCHEMBL913155 0.74
SCHEMBL24269952 0.74
SCHEMBL20052992 0.74
SCHEMBL6889828 0.72 OPRM1 (0.34) ALDH1A1
SCHEMBL684388 0.72
SCHEMBL69189 0.71
SCHEMBL679569 0.69 KDM4E (0.31) KDM4EL3MBTL1
SCHEMBL16885326 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
EP-3612620-A1 4-ETHYL-OCTENE-2/3-NITRILE AS A FRAGRANCE Symrise AG (DE) 2020-02-26 EP disclosed
EP-3601510-A1 2,3,6-TRIMETHYLCYCLOHEXANOL AS A SCENTING AND/OR FLAVORING AGENT Symrise AG (DE) 2020-02-05 EP disclosed
EP-3601508-A1 5-BICYCLO[2.2.1]HEPT-2-ENYL-ACETATE AS A SCENTING AND/OR FLAVORING AGENT Symrise AG (DE) 2020-02-05 EP disclosed
EP-3559179-A1 FRAGRANCE MIXTURE Symrise AG (DE) 2019-10-30 EP disclosed
EP-3523021-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2019-08-14 EP disclosed