SCHEMBL21576839

SCHEMBL21576839

C=C(C)CCOP(=O)(OC)OP(=O)(OC)OC

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.55
CYP3A4 P08684 1/20 0.30

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
SCHEMBL3221328 0.88 BTN3A1 (0.62) BTN3A1CYP3A4
SCHEMBL7469881 0.83 BTN3A1 (0.61) BTN3A1CYP3A4
SCHEMBL21576828 0.83 BTN3A1 (0.43) BTN3A1
SCHEMBL3211428 0.78 BTN3A1 (0.72) BTN3A1CYP3A4
SCHEMBL14864449 0.77 BTN3A1 (0.76) BTN3A1
SCHEMBL2785820 0.76 BTN3A1 (0.53) BTN3A1
SCHEMBL3215373 0.74 BTN3A1 (0.77) BTN3A1
SCHEMBL3211424 0.74 BTN3A1 (0.85) BTN3A1
SCHEMBL21571268 0.73 BTN3A1 (0.77) BTN3A1
SCHEMBL17705187 0.73 BTN3A1 (0.59) BTN3A1

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-11046978-B2 Synthesis of isoprenoids and derivatives WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-29 US disclosed
US-20190352679-A1 MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATIC COMPOUNDS WILLIAM MARSH RICE UNIVERSITY 2019-11-21 US disclosed