SCHEMBL8216178

SCHEMBL8216178

C=COC(=O)OCC(F)(F)C(F)(F)C(F)(F)COC(=O)OC=C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL13786725 0.91
SCHEMBL25476884 0.88 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL264603 0.86 TSHR (0.36) SMN1; SMN2
SCHEMBL320668 0.83 HTT (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8767139 0.79 TSHR (0.37) ALDH1A1
SCHEMBL8213762 0.79 MAPK1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL25476882 0.77 TSHR (0.35) ALDH1A1MAPK1
Acetic Acid SCHEMBL27344367 0.77 HTT (0.39)
SCHEMBL8213498 0.75 SERPINE1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8835435 0.75 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757033-B1 Vinyl carbonate and vinyl carbamate monomers for a contact lens material BAUSCH & LOMB (US) 1999-03-03 EP claimed
EP-0396364-B1 Copolymers of vinyl carbonate and vinyl carbamate as contact lens material BAUSCH & LOMB (US) 1997-06-11 EP claimed
US-5610252-A Vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 1997-03-11 US claimed
EP-0757033-A2 Vinyl carbonate and vinyl carbamate monomers for a contact lens material BAUSCH & LOMB INCORPORATED (US) 1997-02-05 EP claimed
EP-0396364-A2 Novel vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 1990-11-07 EP claimed
US-6166236-A Vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 2000-12-26 US disclosed
EP-0757033-B1 Vinyl carbonate and vinyl carbamate monomers for a contact lens material BAUSCH & LOMB (US) 1999-03-03 EP disclosed
EP-0396364-B1 Copolymers of vinyl carbonate and vinyl carbamate as contact lens material BAUSCH & LOMB (US) 1997-06-11 EP disclosed
US-5610252-A Vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 1997-03-11 US disclosed
EP-0757033-A2 Vinyl carbonate and vinyl carbamate monomers for a contact lens material BAUSCH & LOMB INCORPORATED (US) 1997-02-05 EP disclosed
US-5070215-A Gas permeable contact lenses BAUSCH & LOMB INCORPORATED (US) 1991-12-03 US disclosed
EP-0396364-A2 Novel vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 1990-11-07 EP disclosed