SCHEMBL20320262

SCHEMBL20320262

C=C1C(c2ccc(C#CC)cc2OC)C(=O)[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1CC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 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
SCHEMBL21938594 0.92 TLR9 (0.32) TLR9
SCHEMBL21840206 0.92 TLR9 (0.32) TLR9
SCHEMBL21938662 0.92 TLR9 (0.32) TLR9
SCHEMBL20320123 0.92 TLR9 (0.32) TLR9
SCHEMBL21938591 0.92 TLR9 (0.32) TLR9
SCHEMBL21938724 0.83 CA1 (0.33)
SCHEMBL21840234 0.83 PPM1B (0.32)
SCHEMBL21938588 0.83 PPM1B (0.32)
SCHEMBL20320101 0.83 PPM1B (0.32)
SCHEMBL21938521 0.83 PPM1B (0.32)

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
WO-2018114584-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 WO disclosed