SCHEMBL9058065

SCHEMBL9058065

C=C(C#N)C(=O)OC(C)OC(C)Cl

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4889903 0.85 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL10627188 0.85 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL26911834 0.84 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL11802497 0.84 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL26911395 0.82 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL29078239 0.82 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL487320 0.79 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL11806306 0.78 ALDH1A1 (0.40) ALDH1A1TSHR
Methacrylic Acid SCHEMBL27669373 0.78 TSHR (0.40) ALDH1A1TSHR
SCHEMBL8371104 0.78 TSHR (0.46) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8283225-A None JP disclosed
JP-H08283225-A NEW 2-CYANOACRYLATE TOAGOSEI CO LTD 1996-10-29 JP disclosed