SCHEMBL8664280

SCHEMBL8664280

C=CCC(C)(O)C(=O)[O-].CCC[N+](C)(C)N

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.35

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
SCHEMBL6451818 0.79 CA4 (0.34) BBOX1
Acetic Acid SCHEMBL6039286 0.71 CA1 (0.40) BBOX1
Citric Acid SCHEMBL27511805 0.70 CA4 (0.55) BBOX1
Glycine SCHEMBL290022 0.68 BBOX1 (0.41) BBOX1
SCHEMBL8668364 0.66
L-Lactic Acid SCHEMBL27743481 0.65 TSHR (0.37) BBOX1
SCHEMBL15553114 0.65 BBOX1 (0.39) BBOX1
SCHEMBL2126303 0.65 BBOX1 (0.36) BBOX1
SCHEMBL2517699 0.65 BBOX1 (0.36) BBOX1
SCHEMBL7158783 0.65 BBOX1 (0.31) BBOX1

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
US-5843407-A Non-sweating lipsticks THE PROCTER & GAMBLE COMPANY (US) 1998-12-01 US disclosed