SCHEMBL9422192

SCHEMBL9422192

CCCCCCCCCCCCCCCCCCC(N)(C(C)O)C(C)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.45
SMPD1 P17405 4/20 0.45
SPHK1 Q9NYA1 1/20 0.43
GGPS1 O95749 6/20 0.39

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
SCHEMBL123833 1.00 FDPS (0.45) FDPSSMPD1SPHK1GGPS1
SCHEMBL3677155 1.00 FDPS (0.45) FDPSSMPD1SPHK1GGPS1
SCHEMBL3676595 1.00 FDPS (0.45) FDPSSMPD1SPHK1GGPS1
Hydrochloric Acid SCHEMBL16468331 0.98 FDPS (0.44) FDPSSMPD1SPHK1GGPS1
Hydrochloric Acid SCHEMBL4443834 0.98 FDPS (0.44) FDPSSMPD1SPHK1GGPS1
SCHEMBL7036676 0.98 FDPS (0.43) FDPSSMPD1SPHK1GGPS1
Phosphoric Acid SCHEMBL10477157 0.90 FDPS (0.56) FDPSSMPD1GGPS1
SCHEMBL6558334 0.82 FDPS (0.45) FDPSSMPD1SPHK1GGPS1
SCHEMBL3073022 0.81 SMPD1 (0.43) FDPSSMPD1SPHK1GGPS1
SCHEMBL4260580 0.81 SMPD1 (0.43) FDPSSMPD1SPHK1GGPS1

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-0408017-B1 DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-09-29 EP claimed
EP-0408017-A2 Delivery systems for quaternary and related compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-01-16 EP claimed
US-10815421-B2 Flow back aids ETHOX CHEMICALS, LLC (US) 2020-10-27 US disclosed
US-20150047849-A1 FLOW BACK AIDS FIRST NATIONAL BANK OF PENNSYLVANIA 2015-02-19 US disclosed
US-5300494-A Delivery systems for quaternary and related compounds UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1994-04-05 US disclosed
EP-0408017-B1 DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-09-29 EP disclosed