Isobutanol

Isobutanol

SCHEMBL8024741

CC(C)CO.COC(=O)CCCCC(=O)OC

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
LMNA P02545 4/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.45
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40

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
Propylene Glycol SCHEMBL28906594 0.86 TSHR (0.58) TSHRLMNAALDH1A1RECQLMAPT
SCHEMBL27953228 0.84 TSHR (0.88) TSHRLMNAALDH1A1RECQLCA12
SCHEMBL14975 0.84 TSHR (0.88) TSHRLMNAALDH1A1RECQLCA12
SCHEMBL995832 0.84 TSHR (0.61) TSHRLMNAALDH1A1RECQLCA12
Ethylene Glycol SCHEMBL27880739 0.82 TSHR (0.74) TSHRLMNAALDH1A1RECQLCA12
SCHEMBL4530697 0.82 TSHR (0.58) TSHRLMNAALDH1A1RECQLMAPT
SCHEMBL16668510 0.82 TSHR (0.58) TSHRLMNAALDH1A1RECQLMAPT
SCHEMBL2345504 0.82 TSHR (0.58) TSHRLMNAALDH1A1RECQLCA12
SCHEMBL19281377 0.82 TSHR (0.58) TSHRLMNAALDH1A1RECQLCA12
SCHEMBL2254699 0.82 TSHR (0.58) TSHRLMNAALDH1A1RECQLCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973930-A1 HIGH TEMPERATURE PHA EXTRACTION USING PHA-POOR SOLVENTS Monsanto Company (US) 2000-01-26 EP claimed
WO-1998046783-A1 HIGH TEMPERATURE PHA EXTRACTION USING PHA-POOR SOLVENTS MONSANTO COMPANY (US) 1998-10-22 WO claimed
EP-0973930-A1 HIGH TEMPERATURE PHA EXTRACTION USING PHA-POOR SOLVENTS Monsanto Company (US) 2000-01-26 EP disclosed
WO-1998046783-A1 HIGH TEMPERATURE PHA EXTRACTION USING PHA-POOR SOLVENTS MONSANTO COMPANY (US) 1998-10-22 WO disclosed