SCHEMBL9622651

SCHEMBL9622651

CCCCC(CC)CP(=O)([O-])CCC.CCCCC(CC)CP(=O)([O-])CCC.CCCCC(CC)CP(=O)([O-])CCC.[Fe+3]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA2 P00918 3/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 4/20 0.39
FDPS P14324 1/20 0.35
ATM Q13315 1/20 0.35
TRPM8 Q7Z2W7 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3965766 0.93 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL3967221 0.90 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL3960941 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL149866 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL18148986 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL673378 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL672723 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL673380 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL640855 0.89 CYP3A4 (0.46) CYP3A4L3MBTL1CA2ALDH1A1TDP1
SCHEMBL18148994 0.86 CYP3A4 (0.50) CYP3A4L3MBTL1CA2ALDH1A1TDP1

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-0256773-B1 THERMAL IMAGING MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-03-04 EP disclosed
EP-0364092-A2 Pressure-sensitive carbonless imaging system incorporating uncolored ferric organophosphates and uncolored chelates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-18 EP disclosed
EP-0360421-A2 Pressure-sensitive carbonless imaging system incorporating uncolored ferric organophosphates and colored chelates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-03-28 EP disclosed
US-4902668-A Pressure sensitive carbonless imaging system incorporating uncolored ferric organophosphates and colored chelates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-02-20 US disclosed
US-4902667-A Pressure sensitive carbonless imaging system incorporating uncolored ferric organophosphates and uncolored chelates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-02-20 US disclosed
US-4808565-A Thermal imaging material MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-02-28 US disclosed
EP-0256773-A2 Thermal imaging materials MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-02-24 EP disclosed