SCHEMBL9255084

SCHEMBL9255084

C=C(C)C(=O)OC.C=C(CCC#N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.34

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
Methacrylic Acid SCHEMBL28857861 0.88 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL9440656 0.82 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL110534 0.82
SCHEMBL5147576 0.80 TSHR (0.45) ALDH1A1TSHR
Methacrylic Acid SCHEMBL7744384 0.79
SCHEMBL27809702 0.79 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL8068615 0.79 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL8417073 0.77 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL27888100 0.77 ALDH1A1 (0.56) ALDH1A1TSHR
Itaconate SCHEMBL11875359 0.77 ALDH1A1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5471554-A Primer for electrochromic device with plastic substrate PPG INDUSTRIES, INC. (US) 1995-11-28 US claimed