SCHEMBL9854540

SCHEMBL9854540

C=C(C)C(=O)OCCCOC#N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
THRB P10828 1/20 0.47
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.37
DNM1 Q05193 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
SCHEMBL28206547 0.95 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1644791 0.89 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18828925 0.85 THRB (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL182045 0.84 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18854241 0.84 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16706192 0.84 THRB (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21300084 0.84 THRB (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28715289 0.83 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18828910 0.82 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18854244 0.82 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406161-A2 Fluorine and/or silicone containing poly(alkylene-oxide)-block copolymers and contact lenses thereof CIBA-GEIGY AG (CH) 1991-01-02 EP claimed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed
US-20170145216-A1 RHODAMINE-BASED COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 US disclosed