SCHEMBL9509880

SCHEMBL9509880

O=[N+]([O-])C(O)(CCO)CCO

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.33
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL1678857 0.90 LMNA (0.42) LMNAALDH1A1TDP1TSHR
SCHEMBL9979299 0.78 LMNA (0.40) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL3627511 0.77
SCHEMBL27551301 0.76
SCHEMBL6927423 0.74 LMNA (0.42) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL9548584 0.74 LMNA (0.42) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL15494056 0.74 LMNA (0.42) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL400262 0.74
SCHEMBL11432225 0.74
SCHEMBL439253 0.70 LMNA (0.44) LMNAALDH1A1TDP1TSHR

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-0327220-B1 SYNERGISTIC BIOCIDAL COMPOSITION LONZA, INC. (US) 1993-09-01 EP disclosed
EP-0327220-A1 Synergistic biocidal composition LONZA, INC. (US) 1989-08-09 EP disclosed
US-4844891-A BROAD SPECTRUM MICROBIOCIDES LONZA, INC. (US) 1989-07-04 US disclosed