SCHEMBL9812867

SCHEMBL9812867

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.37
TBXAS1 P24557 2/20 0.35
TET2 Q6N021 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
Hydrochloric Acid SCHEMBL8572776 0.78 DNM1 (0.37) BBOX1TBXAS1TET2
SCHEMBL18044444 0.78 BBOX1 (0.57) BBOX1TBXAS1
SCHEMBL17157531 0.78 BBOX1 (0.34) BBOX1TBXAS1TET2
Hydrochloric Acid SCHEMBL8695365 0.76 ACHE (0.45) BBOX1TBXAS1
Hydrochloric Acid SCHEMBL8222907 0.76 ACHE (0.45) BBOX1TBXAS1
SCHEMBL2578200 0.74 CES1 (0.48)
SCHEMBL1534015 0.74 CAMK2A (0.42) TBXAS1TET2
Hydrochloric Acid SCHEMBL324011 0.74 ACHE (0.52) BBOX1TBXAS1
Hydrochloric Acid SCHEMBL2936558 0.74 ACHE (0.52) BBOX1TBXAS1
SCHEMBL6916130 0.72 CES1 (0.50)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208421-B1 FLUOROPOLYMER COMPOSITIONS, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-17 EP disclosed
EP-0208421-A2 Fluoropolymer compositions, their preparation and use E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-14 EP disclosed
US-4595518-A Oil and water repellency E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-06-17 US disclosed