SCHEMBL9852747

SCHEMBL9852747

C=C(C)C(=O)C(C)(O[SiH3])C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL21735828 0.66 TDP1 (0.42) ALDH1A1TDP1
SCHEMBL2617047 0.66
SCHEMBL18259713 0.64 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL21342514 0.64 ALDH1A1 (0.42) ALDH1A1TDP1
Methacrylic Acid SCHEMBL2961853 0.63 ALDH1A1 (0.45) ALDH1A1TDP1
Methacrylic Acid SCHEMBL733609 0.63
SCHEMBL5921684 0.62 ALDH1A1 (0.41) ALDH1A1
SCHEMBL20892753 0.62
SCHEMBL12962523 0.62
SCHEMBL10925370 0.62 ALDH1A1 (0.35) ALDH1A1

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-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed