SCHEMBL9548577

SCHEMBL9548577

O=C(Cl)OCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL9548582 0.84 TSHR (0.32) TSHR
SCHEMBL9548583 0.81 LMNA (0.38) TSHR
SCHEMBL10895703 0.81 ALDH1A1 (0.40) TSHR
SCHEMBL11150047 0.80 TSHR (0.32) TSHR
SCHEMBL9548592 0.72
SCHEMBL4971950 0.71 PTGS2 (0.36)
SCHEMBL1394492 0.70 ALDH1A1 (0.31)
SCHEMBL2823246 0.70 SLC13A3 (0.40)
SCHEMBL9420196 0.70 TSHR (0.36) TSHR
SCHEMBL10481065 0.70

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-5194103-A Plasticizers in plastic bonded explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-03-16 US disclosed