SCHEMBL2122912

SCHEMBL2122912

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.40
FDPS P14324 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MVD P53602 3/20 0.32
PEPD P12955 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
SCHEMBL2871051 0.75 FDPS (0.45) BTN3A1FDPSBLMTDP1MVD
SCHEMBL4737045 0.74 BTN3A1 (0.53) BTN3A1
SCHEMBL5455779 0.72 BTN3A1 (0.42) BTN3A1FDPSBLMTDP1MVD
SCHEMBL28766325 0.72 BTN3A1 (0.42) BTN3A1FDPSBLMTDP1MVD
SCHEMBL156446 0.72 BTN3A1 (0.38) BTN3A1FDPSBLMTDP1
SCHEMBL12234256 0.71 FDPS (0.41) BTN3A1FDPSBLMTDP1MVD
Ammonia Solution, Strong SCHEMBL3690678 0.71 BTN3A1 (0.37) BTN3A1FDPSBLMTDP1
Pyrophosphoric Acid SCHEMBL3890468 0.71 FDPS (0.42) BTN3A1FDPSBLMTDP1
Ammonia Solution, Strong SCHEMBL3690680 0.71 BTN3A1 (0.37) BTN3A1FDPSBLMTDP1
Hydrochloric Acid SCHEMBL28697610 0.70 FDPS (0.39) BTN3A1FDPSBLMTDP1MVD

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-2443244-A1 IMPROVED ISOPRENE PRODUCTION USING THE DXP AND MVA PATHWAY Danisco US Inc. (US) 2012-04-25 EP disclosed
WO-2010148150-A1 IMPROVED ISOPRENE PRODUCTION USING THE DXP AND MVA PATHWAY DANISCO US INC. (US) 2010-12-23 WO disclosed