SCHEMBL8840207

SCHEMBL8840207

C=C(C)C(=O)OCC(C)[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL15798400 0.79 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL890478 0.76 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL8966000 0.76 TSHR (0.75) TSHRTHRBALDH1A1
SCHEMBL24562 0.76 TSHR (1.00) TSHRTHRBALDH1A1
SCHEMBL94906 0.76 TSHR (0.68) TSHRTHRBALDH1A1
SCHEMBL3319370 0.76 TSHR (0.75) TSHRTHRBALDH1A1
SCHEMBL11061772 0.74 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL14367114 0.74 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL19998240 0.74 TSHR (0.65) TSHRTHRBALDH1A1
SCHEMBL20001266 0.74 TSHR (0.72) TSHRTHRBALDH1A1

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-3710582-A1 METHODS FOR ISOLATING DNA FROM A BLOOD SAMPLE The University Court Of The University of Edinburgh (GB) 2020-09-23 EP disclosed
US-5626910-A CONTACTING RESIN WITH FLUORINE GAS FOR SURFACE MODIFIED MOLDED PRODUCT MITSUBISHI CHEMICAL CORPORATION (JP) 1997-05-06 US disclosed
EP-0585662-A1 Surface-modified molded product of synthetic resin and process for producing it Mitsubishi Chemical Corporation (JP) 1994-03-09 EP disclosed
US-4156034-A COPOLYMER OF ACRYLIC ESTER AND STYRENE DERIVATIVE AS COATING AGENT HITACHI, LTD. (JP) 1979-05-22 US disclosed