SCHEMBL13301828

SCHEMBL13301828

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

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
EGFR P00533 2/20 0.32

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
SCHEMBL17677576 0.81 TSHR (0.61) TSHRALDH1A1
SCHEMBL28231206 0.80 TSHR (0.60) TSHRALDH1A1EGFR
Bucrylate SCHEMBL168360 0.79 TSHR (0.62) TSHRALDH1A1
SCHEMBL28021484 0.78 TSHR (0.60) TSHRALDH1A1
SCHEMBL1274650 0.75 ALDH1A1 (0.62) TSHRALDH1A1
SCHEMBL25850109 0.75 TSHR (0.53) TSHRALDH1A1
SCHEMBL5429826 0.75 TSHR (0.53) TSHRALDH1A1
SCHEMBL440284 0.75 TSHR (0.56) TSHRALDH1A1
SCHEMBL19835504 0.74 EGFR (0.34) TSHREGFR
SCHEMBL14991449 0.73 EGFR (0.37) TSHRALDH1A1EGFR

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
US-8431666-B2 Injectible cyanoacrylate-functionalized polyisobutylenes THE UNIVERSITY OF AKRON (US) 2013-04-30 US disclosed
US-8431666-B2 Injectible cyanoacrylate-functionalized polyisobutylenes THE UNIVERSITY OF AKRON (US) 2013-04-30 US disclosed
US-20100144996-A1 INJECTIBLE CYANOACRYLATE-FUNCTIONALIZED POLYISOBUTYLENES THE UNIVERSITY OF AKRON (US) 2010-06-10 US disclosed