SCHEMBL7025762

SCHEMBL7025762

C=C(C)C(=O)C(=O)COP(=O)(O)OP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.51
MVD P53602 5/20 0.45
FNTA P49354 4/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 2/20 0.36

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
SCHEMBL2639036 0.89 BTN3A1 (0.36) BTN3A1MVD
SCHEMBL872243 0.85 TPI1 (0.42) BTN3A1
SCHEMBL22235266 0.79 BTN3A1 (0.66) BTN3A1MVDFNTAFNTBPGGT1B
SCHEMBL3330841 0.79 TSHR (0.33)
SCHEMBL7261083 0.77 BTN3A1 (0.53) BTN3A1MVDFNTAFNTBPGGT1B
SCHEMBL2313412 0.72 TPI1 (0.45) BTN3A1
SCHEMBL8442489 0.70 MVD (0.47) BTN3A1MVDFNTAFNTBPGGT1B
SCHEMBL434598 0.70 BTN3A1 (0.59) BTN3A1MVDFNTAFNTB
Triphosphate SCHEMBL17255887 0.70 BTN3A1 (0.48) BTN3A1MVDFNTAFNTBPGGT1B
SCHEMBL14993049 0.69 BTN3A1 (0.55) BTN3A1MVDFNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821931-B1 Metal fluoride particles and a dental composition including said metal fluoride particles KURARAY CO (JP) 2003-01-15 EP disclosed
US-5908879-A A POLYSILOXANE COATING ON THE SURFACE OF THE PARTICLE. KURARAY CO., LTD. (JP) 1999-06-01 US disclosed
EP-0821931-A2 Metal fluoride particles and a dental composition including said metal fluoride particles KURARAY CO., LTD. (JP) 1998-02-04 EP disclosed