SCHEMBL8604479

SCHEMBL8604479

C=CCNCC(OP(=O)(OCC)OCC)P(=O)(OCC)OCC

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL8604607 0.77 TSHR (0.36) TSHR
SCHEMBL8604465 0.71 MEN1 (0.47)
SCHEMBL19420896 0.70 TSHR (0.46) TSHRTDP1
SCHEMBL8603774 0.68 ANPEP (0.41) TSHR
SCHEMBL31520565 0.68 TDP1 (0.38) TSHRTDP1
SCHEMBL3147520 0.67 TDP1 (0.36) TSHRTDP1
SCHEMBL9709548 0.65 PPARD (0.37)
SCHEMBL3147522 0.64 PPARD (0.48) TSHRTDP1
SCHEMBL8670808 0.64 HMGCR (0.37) TSHRTDP1
SCHEMBL27170476 0.63 TDP1 (0.51) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590009-B1 DIALKYL (DIALKOXYPHOSPHINYL)METHYL PHOSPHATES AS ANTI-INFLAMMATORY AGENTS UPJOHN CO (US) 1998-03-18 EP claimed