SCHEMBL17737701

SCHEMBL17737701

C=C(C)C(=O)OC1C(OC(C)=O)C(OC(C)=O)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 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
SCHEMBL17737712 1.00 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL17742623 0.94 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL17737692 0.78 CHRM2 (0.34) ALDH1A1
SCHEMBL9961333 0.76 CYP2D6 (0.48) ALDH1A1TSHR
SCHEMBL8360961 0.76 CA2 (0.30) —
SCHEMBL17742658 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18309888 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1309417 0.70 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL14816334 0.70 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL21158790 0.70 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-20160130462-A1 TOPCOAT COMPOSITIONS AND PHOTOLITHOGRAPHIC METHODS ROHM & HAAS ELECT MAT (US) 2016-05-12 — — US disclosed
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