SCHEMBL19791941

SCHEMBL19791941

C=C(C=O)COC(=O)CC#N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL27287954 0.75
SCHEMBL8413847 0.75 MCL1 (0.37) MCL1ALDH1A1TSHR
SCHEMBL13227318 0.75 ALDH1A1 (0.36) MCL1ALDH1A1TSHR
SCHEMBL27496508 0.73 MCL1 (0.46) MCL1ALDH1A1TSHR
SCHEMBL1417151 0.72
SCHEMBL338964 0.71
SCHEMBL6890414 0.71 MCL1 (0.43) MCL1
SCHEMBL10835454 0.71 TDP1 (0.45) MCL1ALDH1A1TSHR
SCHEMBL11500044 0.71 TSHR (0.37) ALDH1A1TSHR
SCHEMBL9322995 0.70

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-2217557-B1 ACTIVATED METHYLENE REAGENTS Henkel IP & Holding GmbH (DE) 2018-01-24 EP disclosed