SCHEMBL5021630

SCHEMBL5021630

C=C(C)C(=O)CCOC#N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 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
SCHEMBL8612937 0.81 THRB (0.31) ALDH1A1TSHRTHRB
SCHEMBL18854239 0.74 THRB (0.47) TDP1ALDH1A1TSHRTHRB
SCHEMBL1644791 0.73 THRB (0.55) TDP1ALDH1A1TSHRTHRB
SCHEMBL8825039 0.73
SCHEMBL92114 0.73
SCHEMBL28381521 0.71 ALDH1A1 (0.44) TDP1ALDH1A1TSHRTHRB
SCHEMBL15759387 0.71 TDP1 (0.44) TDP1ALDH1A1TSHRTHRB
SCHEMBL26062583 0.71 EPHX2 (0.30)
SCHEMBL9854540 0.71 TSHR (0.55) TDP1ALDH1A1TSHRTHRB
SCHEMBL12212877 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed