SCHEMBL7126709

SCHEMBL7126709

CCCCO[PH](=O)O.[KH].[KH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.38
TSHR P16473 5/20 0.37
CYP3A4 P08684 3/20 0.37
LPAR3 Q9UBY5 4/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE4D Q08499 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
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
SCHEMBL829195 0.97
Water SCHEMBL29138099 0.95
SCHEMBL29067890 0.95
SCHEMBL673815 0.95
Butane SCHEMBL1296581 0.95 ALDH1A1 (0.41) ALDH1A1ATMTSHRCYP3A4LPAR3
SCHEMBL16816922 0.95
SCHEMBL7117034 0.95 ALDH1A1 (0.41) ALDH1A1ATMTSHRCYP3A4LPAR3
SCHEMBL150920 0.95
SCHEMBL673191 0.95
SCHEMBL3958328 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785247-B1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2003-11-19 EP claimed
US-5858266-A CONTAINING A HYDROFLUOROCARBON, A PHOSPHOROUS COMPOUND AND AN OXYGEN-CONTAINING ORGANIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 1999-01-12 US claimed
EP-0785247-A1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-07-23 EP claimed
EP-0785247-B1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2003-11-19 EP disclosed
US-5997761-A Refrigerating machine oil composition IDEMITSU KOSAN CO., LTD. (JP) 1999-12-07 US disclosed
US-5858266-A CONTAINING A HYDROFLUOROCARBON, A PHOSPHOROUS COMPOUND AND AN OXYGEN-CONTAINING ORGANIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 1999-01-12 US disclosed
EP-0785247-A1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-07-23 EP disclosed