SCHEMBL9681129

SCHEMBL9681129

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

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL19684312 0.85 TSHR (0.38) TSHRALDH1A1
SCHEMBL8378310 0.85 TSHR (0.38) TSHRALDH1A1
SCHEMBL11513143 0.84 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL19678648 0.83 TSHR (0.33) TSHRALDH1A1
SCHEMBL795471 0.83 TSHR (0.42) TSHRALDH1A1
SCHEMBL85647 0.82 TSHR (0.36) TSHRALDH1A1
SCHEMBL7737923 0.81 TSHR (0.35) TSHRALDH1A1
SCHEMBL2299304 0.79 RORC (0.30) TSHRALDH1A1
SCHEMBL27503668 0.78 TSHR (0.33) TSHRALDH1A1
SCHEMBL12856975 0.77 TSHR (0.41) TSHRALDH1A1

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-5113477-A Core, cladding, heat resistance HITACHI, LTD. (JP) 1992-05-12 US disclosed
EP-0226020-A2 Plastic optical fibers and transparent resin used therefor HITACHI, LTD. (JP) 1987-06-24 EP disclosed