SCHEMBL21086708

SCHEMBL21086708

CN[C@H](/C=C(\C)C(C)=O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 2/20 0.32

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
SCHEMBL22643755 0.84 TUBB1 (0.33)
SCHEMBL5578335 0.84 TUBB1 (0.33)
SCHEMBL5578339 0.84 TUBB1 (0.33)
SCHEMBL16862667 0.84 TUBB1 (0.33)
SCHEMBL16861443 0.84 TUBB1 (0.33)
Hydrochloric Acid SCHEMBL6669625 0.82 TUBB1 (0.33)
Hydrochloric Acid SCHEMBL6669635 0.82 TUBB1 (0.33)
SCHEMBL10005802 0.77
Trifluoroacetic Acid SCHEMBL6673944 0.74 TUBB1 (0.32)
SCHEMBL58098 0.74 GLO1 (0.40)

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-2968440-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-06-05 EP disclosed