SCHEMBL9687114

SCHEMBL9687114

CCCCC(O)O[PH](=O)OC(O)CCCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FDPS P14324 1/20 0.37
CA2 P00918 6/20 0.36
CA1 P00915 3/20 0.36
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 5/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
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
SCHEMBL5745398 0.93 GPR84 (0.42) FDPSGPR84FFAR1
SCHEMBL7113988 0.91 GPR84 (0.45) FDPSGPR84FFAR1
SCHEMBL7108454 0.91 GPR84 (0.45) FDPSGPR84FFAR1
SCHEMBL7110009 0.91 GPR84 (0.45) FDPSGPR84FFAR1
SCHEMBL7112329 0.91 GPR84 (0.45) FDPSGPR84FFAR1
SCHEMBL7111637 0.91 GPR84 (0.45) FDPSGPR84FFAR1
SCHEMBL7112305 0.91 GPR84 (0.45) FDPSGPR84FFAR1
SCHEMBL6888760 0.91 GPR84 (0.45) FDPSGPR84FFAR1
SCHEMBL7111579 0.91 GPR84 (0.45) FDPSGPR84FFAR1
SCHEMBL8777431 0.86 CHRM1 (0.33) TSHRFDPSCYP3A4TDP1

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-0155508-B1 TRANSITION METAL COMPLEX CATALYZED REACTIONS UNION CARBIDE CORPORATION (US) 1992-12-09 EP disclosed
US-4789753-A FORMYLATION CATALYST COMPLEX UNION CARBIDE CORPORATION (US) 1988-12-06 US disclosed
US-4737588-A CONTAINING DIORGANOPHOSPHITE-HYDROFORMYLATION CATALYST UNION CARBIDE CORPORATION (US) 1988-04-12 US disclosed
US-4717775-A RHODIUM-DIORGANOPHOSPHITE COMPLEX CATALYZED HYDROFORMYLATION REACTIONS UNION CARBIDE CORPORATION (US) 1988-01-05 US disclosed
US-4599206-A Transition metal complex catalyzed reactions UNION CARBIDE CORPORATION (US) 1986-07-08 US disclosed
EP-0155508-A1 Transition metal complex catalyzed reactions UNION CARBIDE CORPORATION (US) 1985-09-25 EP disclosed
WO-1985003702-A1 TRANSITION METAL COMPLEX CATALYZED REACTIONS UNION CARBIDE CORPORATION (US) 1985-08-29 WO disclosed