SCHEMBL6702992

SCHEMBL6702992

CC(CO)(CO)COP(=O)(O)O.Nc1nc(N)nc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.38
S1PR3 Q99500 18/20 0.38
NUDT1 P36639 2/20 0.36
S1PR4 O95977 5/20 0.35
S1PR5 Q9H228 5/20 0.35
S1PR2 O95136 2/20 0.35

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
SCHEMBL30340381 0.86 NUDT1 (0.45) S1PR1S1PR3NUDT1S1PR4S1PR5
SCHEMBL6260932 0.85 S1PR1 (0.38) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL30478040 0.82 S1PR1 (0.36) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL3991775 0.82 S1PR1 (0.36) S1PR1S1PR3S1PR4S1PR5S1PR2
Phosphoric Acid SCHEMBL4867284 0.81 S1PR1 (0.35) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL16472574 0.78 S1PR1 (0.35) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL30433753 0.77 S1PR1 (0.33) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL28120428 0.75 CYP1A2 (0.35)
SCHEMBL8608224 0.74 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL27717878 0.73 NUDT1 (0.35) S1PR1S1PR3NUDT1S1PR4S1PR5

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
US-20040039085-A1 Acid-methylol compound reaction products for flame resistance KASOWSHI ROBERT VALENTINE (US) 2004-02-26 US disclosed
WO-2001077217-A1 ACID-METHYLOL COMPOUND REACTION PRODUCTS FOR FLAME RESISTANCE KASOWSKI ROBERT VALENTINE (US) 2001-10-18 WO disclosed