SCHEMBL1369440

SCHEMBL1369440

C=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
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
SCHEMBL2328346 1.00 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL434896 1.00 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL4456940 1.00 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL36676 0.98 ALDH1A1 (0.38) ALDH1A1TSHR
Methacrylic Acid SCHEMBL10493561 0.93 ALDH1A1 (0.34) ALDH1A1
SCHEMBL87496 0.92 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL4603430 0.92 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL15157271 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5084731 0.86 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL535043 0.86 ALDH1A1 (0.38) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546459-B2 Dental filling/restoration kit TOKUYAMA DENTAL CORPORATION (JP) 2013-10-01 US disclosed
CN-101677909-B Dental filling and repairing kit TOKUYAMA CORP 2013-06-05 CN disclosed
CN-102300545-A Dental filling repair kit 2011-12-28 CN disclosed
US-20110288195-A1 DENTAL FILLING/RESTORATION KIT TOKUYAMA DENTAL CORPORATION (JP) 2011-11-24 US disclosed
CN-101677909-A Dental filling and repairing kit TOKUYAMA DENTAL CORP 2010-03-24 CN disclosed