Dodecane

Dodecane

SCHEMBL7897667

CCCCCCCCCCCC.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.62
LPAR2 Q9HBW0 3/20 0.62
LPAR1 Q92633 2/20 0.62
SMPD1 P17405 6/20 0.56
FDPS P14324 5/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GGPS1 O95749 1/20 0.50

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
Pyrophosphoric Acid SCHEMBL1123675 1.00 LPAR3 (0.62) LPAR3LPAR2LPAR1SMPD1FDPS
Pyrophosphoric Acid SCHEMBL27668809 0.97 FDPS (0.59) LPAR3LPAR2LPAR1SMPD1FDPS
Pyrophosphoric Acid SCHEMBL30340239 0.92 FDPS (0.59) LPAR3LPAR2LPAR1SMPD1FDPS
Dodecanol SCHEMBL27723566 0.91 LMNA (0.59) LPAR3LPAR2LPAR1SMPD1
Pyrophosphoric Acid SCHEMBL28101086 0.91 LMNA (0.59) LPAR3LPAR2LPAR1SMPD1
Pyrophosphoric Acid SCHEMBL9547111 0.89 DNM1 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS
Pyrophosphoric Acid SCHEMBL29588015 0.89 LPAR3 (0.52) LPAR3LPAR2LPAR1SMPD1FDPS
Hexadecylamine SCHEMBL28476430 0.89 DNM1 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS
Pyrophosphoric Acid SCHEMBL9547103 0.89 DNM1 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS
Hexadecylamine SCHEMBL28476428 0.89 DNM1 (0.56) LPAR3LPAR2LPAR1SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133584-A1 DERIVATIZED METALLIC SURFACES, COMPOSITES OF FUNCTIONALIZED POLYMERS WITH SUCH METALLIC SURFACES AND PROCESSES FOR FORMATION THEREOF E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-09-19 EP disclosed
WO-2000029639-A1 DERIVATIZED METALLIC SURFACES, COMPOSITES OF FUNCTIONALIZED POLYMERS WITH SUCH METALLIC SURFACES AND PROCESSES FOR FORMATION THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-25 WO disclosed