SCHEMBL9566685

SCHEMBL9566685

O=C(O)c1c(F)c(OCC(F)(F)F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9566665 0.89 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL9566704 0.87 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL9566670 0.82 GRIN2D (0.39) TSHRSMN1; SMN2L3MBTL1
SCHEMBL8592634 0.81 SMN1; SMN2 (0.47) TSHRSMN1; SMN2L3MBTL1
SCHEMBL9566694 0.80 GRIN2D (0.36) SMN1; SMN2
SCHEMBL9566659 0.79 MEN1 (0.32) TSHRL3MBTL1
SCHEMBL9566652 0.78
SCHEMBL9566707 0.78 GRIN2D (0.44) TSHR
SCHEMBL1202914 0.77 SMN1; SMN2 (0.47) TSHRSMN1; SMN2L3MBTL1
SCHEMBL9566672 0.77

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
EP-0545866-A1 Process for the preparation of trifluorobenzol derivatives CIBA-GEIGY AG (CH) 1993-06-09 EP claimed
EP-0545866-A1 Process for the preparation of trifluorobenzol derivatives CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed